Chemical identity

Thiamine EP Impurity E/ Thioxothiamine (Free Base)

CAS 299-35-4 · C12H16N4OS2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-29431
PubChem CID67530
NameThiamine EP Impurity E/ Thioxothiamine (Free Base)
CAS RN299-35-4
Molecular formulaC12H16N4OS2
Molecular weight296.41 g/mol
IUPAC name3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2(3H)-thione
InChIKeySQOCQQPFEFRKBV-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 67530
Two-dimensional chemical structure of Thiamine EP Impurity E/ Thioxothiamine (Free Base), CAS 299-35-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESS=C1SC(CCO)=C(C)N1CC2=CN=C(C)N=C2N
InChINot listed
Formula from structureC12H16N4OS2
Molecular weight from structure296.41 g/mol

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 299-35-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 299-35-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

Thiamine

View API and impurity family

Other names

  • Thiamine EP Impurity E
  • Thiamin Thiothiazolone
  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione
  • Thioxothiamine

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources