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Thiochrome

Also known as Thiachrome, 5H-Pyrimido(4,5-d)thiazolo(3,2-a)pyrimidine-8-ethanol, 2,7-dimethyl-, 5H-Pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol, 2,7-dimethyl-

Thiochrome chemical structure, C12H14N4OS, CAS 92-35-3
2D chemical structure

Key facts

What buyers check first

CAS number
92-35-3
Formula
C12H14N4OS
Molar mass
262.34 g/mol
EC number
202-149-9
HS code
293499
Category
Impurities and reference standards

What is Thiochrome?

Plain description, key identifiers and synonyms

Thiochrome is a chemical substance with the molecular formula C12H14N4OS and a molar mass of 262.34 g/mol. Its CAS registry number is 92-35-3. The IUPAC name is 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol
CAS number
92-35-3 CAS number cross-checked
EC number
202-149-9
Molecular formula
C12H14N4OS
UNII
65UT4V5Z34
InChIKey
GTQXMAIXVFLYKF-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3
SMILES (canonical and isomeric)
CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCO

Synonyms

  • Thiachrome
  • 5H-Pyrimido(4,5-d)thiazolo(3,2-a)pyrimidine-8-ethanol, 2,7-dimethyl-
  • 5H-Pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol, 2,7-dimethyl-
  • Thiachromine-8-ethanol, 2,7-dimethyl-
  • 5H-Thiachromine-8-ethanol, 2,7-dimethyl-
  • 2-(2,7-Dimethyl-5H-thiazolo(3',2':1,2)pyrimido(4,5-d)pyrimidin-8-yl)ethanol
  • 2-{6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo[7.4.0.0^{3,7}]trideca-1(13),2,5,9,11-pentaen-5-yl}ethan-1-ol
  • 2-(6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo(7.4.0.0^(3,7))trideca-1(13),2,5,9,11-pentaen-5-yl)ethan-1-ol
  • 2,7-dimethylthiochromine-8-ethanol
  • Thiochrom
  • 2,7-Dimethylthiachromine-8-ethanol
  • 2-(2,7-Dimethyl-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidin-8-yl)ethan-1-ol
  • 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol
  • 2,7-Dimethyl-5H-thiachromine-8-ethanol
  • Thiochrome, analytical standard
  • Thiachromine-8-ethanol,7-dimethyl-
  • Thiamine /Vitamin B1 Impurity 45
  • 5H-Thiachromine-8-ethanol,7-dimethyl-
  • 2-(2,7-Dimethyl-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethan-1-ol
  • 2-{6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo[7.4.0.0?,?]trideca-1(13),2,5,9,11-pentaen-5-yl}ethan-1-ol

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
262.34 g/molcalc.
Exact mass
262.0888 Dacalc.
LogP (octanol/water)
1.95calc.
Topological polar surface area
61.61 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
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, C1=CN2Cc3cncnc3N=C2S1

C1=CN2Cc3cncnc3N=C2S1

3 rings, 13 atoms.

5 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

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Thiochrome suppliers

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Where suppliers are based

1 supplier in 1 country

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Thiochrome 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

Frequently asked questions

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

What is Thiochrome?

Thiochrome is a chemical substance with the molecular formula C12H14N4OS and a molar mass of 262.34 g/mol. Its CAS registry number is 92-35-3. The IUPAC name is 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol.

What is the CAS number of Thiochrome?

The CAS registry number of Thiochrome is 92-35-3.

What is the molecular formula and weight of Thiochrome?

The molecular formula of Thiochrome is C12H14N4OS and its molar mass is 262.34 g/mol.

Is Thiochrome hazardous?

Thiochrome carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thiochrome?

Thiochrome 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 Thiochrome?

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

What is the price of Thiochrome?

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

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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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