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Molinate chemical structure, C9H17NOS, CAS 2212-67-1
2D chemical structure

Key facts

What buyers check first

Appearance
Clear liquid
Boiling point
136.5 °C
Density
1.063 g/ml @ 20 °C
Flash point
139 °C
Solubility
In water, 970 mg/l @ 25 °C
HS code
293399
Category
Herbicides
UN number
UN 2902
Illustrative photo, a 1000 litre IBC tote of clear liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Molinate?

Plain description, key identifiers and synonyms

Molinate is a member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies. It has a role as an antispermatogenic agent, a herbicide and an agrochemical. It is a monothiocarbamic ester and a member of azepanes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-ethyl azepane-1-carbothioate
CAS number
2212-67-1 CAS number cross-checked
EC number
218-661-0
Molecular formula
C9H17NOS
UNII
68N5G08DJQ
MDL number
MFCD00055352
InChIKey
DEDOPGXGGQYYMW-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
SMILES (canonical and isomeric)
CCSC(=O)N1CCCCCC1

Synonyms

  • Ordram
  • S-Ethyl azepane-1-carbothioate
  • Jalan
  • Yalan
  • Yulan
  • Felan
  • Hydram
  • Higalnate
  • Molmate
  • Sakkimol
  • S-Ethyl hexahydro-1H-azepine-1-carbothioate
  • Molinate estrella
  • Stauffer R-4,572
  • Ethyl 1-hexamethyleneiminecarbothiolate
  • S-Ethyl N,N-hexamethylenethiocarbamate
  • S-Ethyl hexahydroazepine-1-carbothioate
  • Malerbane Giavoni L
  • 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
  • S-Ethyl-N-hexamethylenethiocarbamate
  • S-Ethyl 1-hexamethyleneiminothiocarbamate
  • Perhydroazepin-1-carbothioate
  • S-Ethyl perhydroazepine-1-thiocarboxylate
  • SC 998
  • S-Ethyl perhydroazepin-1-carbothioate
  • S-Ethyl-N,N-hexamethylenethiocarbamate
Show all 32 synonyms
  • S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat
  • S-ethyl 1-hexamethylenaminothiocarbamate
  • hexahydro-1H-azepine-1-carbothioic acid S-ethyl ester
  • S-ethyl 1-hexamethylenamino-thiocarbamate
  • azepan-1-yl(ethylsulfanyl)methanone
  • S-Ethyl N,N-hexamethylenothiocarbamate
  • S-Ethyl 1-azepanecarbothioate #

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Clear liquidexp.
Odour
Aromaticexp.
Boiling point
136.5 °Cexp.
Density
1.063 g/ml @ 20 °Cexp.
Flash point
139 °Cexp.
Solubility
In water, 970 mg/l @ 25 °Cexp.
Vapour pressure
5.6 × 10⁻³ mm Hg @ 25 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
187.31 g/molcalc.
Exact mass
187.1031 Dacalc.
LogP (octanol/water)
2.74calc.
Topological polar surface area
20.31 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCNCC1

C1CCCNCC1

1 ring, 7 atoms, the Azepane ring system.

1,880 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H317May cause an allergic skin reaction.
  • H332Harmful if inhaled.
  • H351Suspected of causing cancer.
  • H361fSuspected of damaging fertility.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (22)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2902

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Molinate suppliers

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Where suppliers are based

1 supplier in 1 country

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Molinate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Selective herbicide.

Herbicide.

Use classes: Herbicides.

Pharmacological actions

  • Antispermatogenic Agents
  • Herbicides

Roles

  • agrochemical
  • antispermatogenic agent
  • herbicide
  • pesticide

Functional uses

  • Biocide

How it is made

From ethyl chlorothiolformate and hexamethyleneimine.

Hexamethyleneimine + ethyl chlorothioformate (dehydrochlorination)

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 613-051-00-4

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Molinate (ISO), Ref no: 1180, Annex ref: II/1180

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Molinate is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Molinate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Molinate, based on the data on this page

What is Molinate?

Molinate is a member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies.

What is the CAS number of Molinate?

The CAS registry number of Molinate is 2212-67-1.

What is the molecular formula and weight of Molinate?

The molecular formula of Molinate is C9H17NOS and its molar mass is 187.31 g/mol.

What is Molinate used for?

Selective herbicide. Herbicide. Use classes: Herbicides.

Is Molinate hazardous?

Molinate carries the GHS signal word "Warning". Main hazards: harmful if swallowed, may cause an allergic skin reaction, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Molinate?

Molinate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Molinate?

CompoundList lists 1 supplier of Molinate in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Molinate?

Suppliers quote Molinate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Molinate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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