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Screening compounds

Cycotiamine

Also known as Carbothiamine, Cometamine, Commetamin

CAS 6092-18-8Formula C13H16N4O3SMolar mass 308.36 g/mol
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Cycotiamine chemical structure, C13H16N4O3S, CAS 6092-18-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6092-18-8
Formula
C13H16N4O3S
Molar mass
308.36 g/mol
HS code
293499
Category
Screening compounds

What is Cycotiamine?

Plain description, key identifiers and synonyms

Cycotiamine is a chemical substance with the molecular formula C13H16N4O3S and a molar mass of 308.36 g/mol. Its CAS registry number is 6092-18-8. The IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide
CAS number
6092-18-8 CAS number cross-checked
Molecular formula
C13H16N4O3S
UNII
FT8753F8R9
InChIKey
LLJDJQYGZBQFIF-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)
SMILES (canonical and isomeric)
CC1=NC=C(C(=N1)N)CN(C=O)C(=C2CCOC(=O)S2)C

Synonyms

  • Carbothiamine
  • Cometamine
  • Commetamin
  • Cyclocarbothiamine
  • Cicotiamina
  • Cycothiamin
  • Cycothiamine
  • Cycotiamin
  • Cycotiaminum
  • Cycothiamin(e)
  • Cycotiaminum (INN-Latin)
  • Cicotiamina (INN-Spanish)
  • Cycotiamine (mart.)
  • N-(1-(2-Oxo-1,3-oxathian-4-ylidene)ethyl)-N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide
  • Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)-,
  • N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)formamide
  • N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide
  • N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)formamide

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
308.36 g/molcalc.
Exact mass
308.0943 Dacalc.
LogP (octanol/water)
1.83calc.
Topological polar surface area
98.41 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
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, O=C1OCCC(=CNCc2cncnc2)S1

O=C1OCCC(=CNCc2cncnc2)S1

2 rings, 16 atoms.

1 other chemical 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.

Cycotiamine suppliers

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Cycotiamine 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 Cycotiamine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cycotiamine?

Cycotiamine is a chemical substance with the molecular formula C13H16N4O3S and a molar mass of 308.36 g/mol. Its CAS registry number is 6092-18-8. The IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide.

What is the CAS number of Cycotiamine?

The CAS registry number of Cycotiamine is 6092-18-8.

What is the molecular formula and weight of Cycotiamine?

The molecular formula of Cycotiamine is C13H16N4O3S and its molar mass is 308.36 g/mol.

What is Cycotiamine used for?

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

Is Cycotiamine hazardous?

No GHS hazard classification for Cycotiamine 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 Cycotiamine?

Cycotiamine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cycotiamine?

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

What is the price of Cycotiamine?

Suppliers quote Cycotiamine 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 Cycotiamine

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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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