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Heterocyclic building blocks

Isopolinate

Also known as S-Isopropyl hexahydro-1H-azepine-1-carbothioate, BYRAM, S-isopropyl azepane-1-carbothioate

CAS 3134-70-1Formula C10H19NOSMolar mass 201.34 g/molEC 221-531-6
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Isopolinate chemical structure, C10H19NOS, CAS 3134-70-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3134-70-1
Formula
C10H19NOS
Molar mass
201.34 g/mol
EC number
221-531-6
HS code
293399
Category
Heterocyclic building blocks

What is Isopolinate?

Plain description, key identifiers and synonyms

Isopolinate is a chemical substance with the molecular formula C10H19NOS and a molar mass of 201.34 g/mol. Its CAS registry number is 3134-70-1. The IUPAC name is S-propan-2-yl azepane-1-carbothioate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-propan-2-yl azepane-1-carbothioate
CAS number
3134-70-1 CAS number cross-checked
EC number
221-531-6
Molecular formula
C10H19NOS
UNII
1S0RV2EY2V
InChIKey
LMHHRCOWPQNFTF-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NOS/c1-9(2)13-10(12)11-7-5-3-4-6-8-11/h9H,3-8H2,1-2H3
SMILES (canonical and isomeric)
CC(C)SC(=O)N1CCCCCC1

Synonyms

  • S-Isopropyl hexahydro-1H-azepine-1-carbothioate
  • BYRAM
  • S-isopropyl azepane-1-carbothioate
  • S-(1-Methylethyl) hexahydro-1H-azepine-1-carbothioate
  • 1H-Azepine-1-carbothioic acid, hexahydro-, S-(1-methylethyl) ester
  • 1H-Azepine-1-carbothioic acid, hexahydro-, S-isopropyl ester
  • S-propan-2-yl azepane-1-carbothioate
  • isopropylate
  • S-(Propan-2-yl) azepane-1-carbothioate
  • S-Isopropyl N,N-hexamethylenothiocarbamate

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
201.34 g/molcalc.
Exact mass
201.1187 Dacalc.
LogP (octanol/water)
3.12calc.
Topological polar surface area
20.31 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Isopolinate suppliers

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Isopolinate 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isopolinate 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 Isopolinate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Isopolinate?

Isopolinate is a chemical substance with the molecular formula C10H19NOS and a molar mass of 201.34 g/mol. Its CAS registry number is 3134-70-1. The IUPAC name is S-propan-2-yl azepane-1-carbothioate.

What is the CAS number of Isopolinate?

The CAS registry number of Isopolinate is 3134-70-1.

What is the molecular formula and weight of Isopolinate?

The molecular formula of Isopolinate is C10H19NOS and its molar mass is 201.34 g/mol.

What is Isopolinate used for?

Known uses and roles of Isopolinate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isopolinate hazardous?

No GHS hazard classification for Isopolinate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Isopolinate?

Isopolinate 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 Isopolinate?

Post a free request on CompoundList and suppliers of Isopolinate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Isopolinate?

Suppliers quote Isopolinate 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 Isopolinate

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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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