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Heterocyclic building blocks

Thioeserine

Also known as Carbamothioic acid, methyl-, S-(1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl) ester, (3aS-cis)-, S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate, S-(1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl) hydrogen methylcarbonimidothioate

CAS 61562-64-9Formula C15H21N3OSMolar mass 291.42 g/mol
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Thioeserine chemical structure, C15H21N3OS, CAS 61562-64-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61562-64-9
Formula
C15H21N3OS
Molar mass
291.42 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Thioeserine?

Plain description, key identifiers and synonyms

Thioeserine is a chemical substance with the molecular formula C15H21N3OS and a molar mass of 291.42 g/mol. Its CAS registry number is 61562-64-9. The IUPAC name is S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate
CAS number
61562-64-9 CAS number cross-checked
Molecular formula
C15H21N3OS
InChIKey
VKXLONTUCGLYOR-HIFRSBDPSA-N
InChI
InChI=1S/C15H21N3OS/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
Canonical SMILES
CNC(=O)Sc1ccc2c(c1)C1(C)CCN(C)C1N2C
Isomeric SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)SC(=O)NC)C)C

Synonyms

  • Carbamothioic acid, methyl-, S-(1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl) ester, (3aS-cis)-
  • S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate
  • S-(1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl) hydrogen methylcarbonimidothioate
  • S-[(3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl] hydrogen methylcarbonimidothioate

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
291.42 g/molcalc.
Exact mass
291.1405 Dacalc.
LogP (octanol/water)
2.49calc.
Topological polar surface area
35.58 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccc2c(c1)NC1NCCC21

c1ccc2c(c1)NC1NCCC21

3 rings, 12 atoms.

69 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.

Thioeserine suppliers

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Thioeserine 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 Thioeserine 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 Thioeserine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Thioeserine?

Thioeserine is a chemical substance with the molecular formula C15H21N3OS and a molar mass of 291.42 g/mol. Its CAS registry number is 61562-64-9. The IUPAC name is S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate.

What is the CAS number of Thioeserine?

The CAS registry number of Thioeserine is 61562-64-9.

What is the molecular formula and weight of Thioeserine?

The molecular formula of Thioeserine is C15H21N3OS and its molar mass is 291.42 g/mol.

What is Thioeserine used for?

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

Is Thioeserine hazardous?

No GHS hazard classification for Thioeserine 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 Thioeserine?

Thioeserine 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 Thioeserine?

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

What is the price of Thioeserine?

Suppliers quote Thioeserine 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

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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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