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Aliphatic and alicyclic building blocks

Thioral

Also known as Aamertan-hepta, Agronex Hepta T 30, Thiram - heptachlor mixt.

CAS 37241-33-1Formula C16H17Cl7N2O2S2Molar mass 581.63 g/mol
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Thioral chemical structure, C16H17Cl7N2O2S2, CAS 37241-33-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
37241-33-1
Formula
C16H17Cl7N2O2S2
Molar mass
581.63 g/mol
HS code
290389
Category
Aliphatic and alicyclic building blocks

What is Thioral?

Plain description, key identifiers and synonyms

Thioral is a chemical substance with the molecular formula C16H17Cl7N2O2S2 and a molar mass of 581.63 g/mol. Its CAS registry number is 37241-33-1. The IUPAC name is S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate, 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate, 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene
CAS number
37241-33-1
Molecular formula
C16H17Cl7N2O2S2
InChIKey
YPJGBWYLPQDHGF-UHFFFAOYSA-N
InChI
InChI=1S/C10H5Cl7.C6H12N2O2S2/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17;1-7(2)5(9)11-12-6(10)8(3)4/h1-5H;1-4H3
SMILES (canonical and isomeric)
CN(C)C(=O)SSC(=O)N(C)C.C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl

Synonyms

  • Aamertan-hepta
  • Agronex Hepta T 30
  • Thiram - heptachlor mixt.
  • Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetramethyl-, mixt. with 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene

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
581.63 g/molcalc.
Exact mass
577.8551 Dacalc.
LogP (octanol/water)
6.97calc.
Topological polar surface area
40.62 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
5calc.
Components
2calc.
Lipinski rule of five
Fails (2 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, C1=CC2C3C=CC(C3)C2C1

C1=CC2C3C=CC(C3)C2C1

3 rings, 10 atoms, the Dicyclopentadiene ring system.

70 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.

Thioral suppliers

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Thioral price

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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 Thioral is traded under.

HS 2903.89Indicative HS code

Halogenated derivatives of cyclanic, cyclenic or cycloterpenic hydrocarbons, other

World exports in 2024
$92.3M
−2.2% vs 2023, imports $90.8M
2019 to 2024
Top exporters
  1. China40.4%
  2. Japan26.5%
  3. United Kingdom7.2%
Top importers
  1. South Korea19.2%
  2. Japan16.6%
  3. United States15.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Thioral?

Thioral is a chemical substance with the molecular formula C16H17Cl7N2O2S2 and a molar mass of 581.63 g/mol. Its CAS registry number is 37241-33-1. The IUPAC name is S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate, 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene.

What is the CAS number of Thioral?

The CAS registry number of Thioral is 37241-33-1.

What is the molecular formula and weight of Thioral?

The molecular formula of Thioral is C16H17Cl7N2O2S2 and its molar mass is 581.63 g/mol.

What is Thioral used for?

Known uses and roles of Thioral include building blocks in research and laboratory.

Is Thioral hazardous?

No GHS hazard classification for Thioral 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 Thioral?

Thioral is usually classified under HS code 290389 (Halogenated derivatives of cyclanic, cyclenic or cycloterpenic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thioral?

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What is the price of Thioral?

Suppliers quote Thioral 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 Thioral

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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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