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Impurities and reference standards

Thiothiamine

Also known as Thioxothiamine, Thiothiamin, Thiamin Thiothiazolone

CAS 299-35-4Formula C12H16N4OS2Molar mass 296.42 g/molEC 206-077-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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Thiothiamine chemical structure, C12H16N4OS2, CAS 299-35-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
299-35-4
Formula
C12H16N4OS2
Molar mass
296.42 g/mol
EC number
206-077-9
HS code
293410
Category
Impurities and reference standards

What is Thiothiamine?

Plain description, key identifiers and synonyms

Thiothiamine is a chemical substance with the molecular formula C12H16N4OS2 and a molar mass of 296.42 g/mol. Its CAS registry number is 299-35-4. The IUPAC name is 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
CAS number
299-35-4 CAS number cross-checked
EC number
206-077-9
Molecular formula
C12H16N4OS2
UNII
J8QL0N8LM4
MDL number
MFCD04112824
InChIKey
SQOCQQPFEFRKBV-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
SMILES (canonical and isomeric)
CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO

Synonyms

  • Thioxothiamine
  • Thiothiamin
  • Thiamin Thiothiazolone
  • 3-(4-Amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione
  • Thiamine nitrate impurity e
  • Thiamine hydrochloride impurity e
  • Thioxothiamine (ep impurity)
  • 2(3H)-thiazolethione, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2(3H)-thione
  • 4-Thiazoline-2-thione, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • Thiamine nitrate impurity e (ep impurity)
  • Thiamine hydrochloride impurity e (ep impurity)
  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione
  • Thiamine EP Impurity E
  • 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
  • 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione? (Vitamin Impurity
  • Thiamine Impurity A
  • 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-thione (Thioxothiamine)
  • Thiamine nitrate EP Impurity E
  • 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazole-2-thione
  • 2(3H)-Thiazolethione,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-2,3-dihydro-1,3-thiazole-2-thione
  • Thiothiamine 100 |Ig/mL in Acetonitrile
Show all 28 synonyms
  • Thiothiamine 100 microg/mL in Acetonitrile
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethy
  • 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2(3H)-thione

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
296.42 g/molcalc.
Exact mass
296.0766 Dacalc.
LogP (octanol/water)
1.85calc.
Topological polar surface area
76.96 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
2calc.
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, S=c1sccn1Cc1cncnc1

S=c1sccn1Cc1cncnc1

2 rings, 13 atoms.

6 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

  • H319Causes serious eye irritation.
Precautionary statements (4)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P337 + P317If eye irritation persists: Get medical help.

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

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Thiothiamine 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

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 Thiothiamine is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Thiothiamine?

Thiothiamine is a chemical substance with the molecular formula C12H16N4OS2 and a molar mass of 296.42 g/mol. Its CAS registry number is 299-35-4. The IUPAC name is 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione.

What is the CAS number of Thiothiamine?

The CAS registry number of Thiothiamine is 299-35-4.

What is the molecular formula and weight of Thiothiamine?

The molecular formula of Thiothiamine is C12H16N4OS2 and its molar mass is 296.42 g/mol.

Is Thiothiamine hazardous?

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

What is the HS code of Thiothiamine?

Thiothiamine is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thiothiamine?

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What is the price of Thiothiamine?

Suppliers quote Thiothiamine 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 Thiothiamine

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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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