Chemical identity

Thiopental EP Impurity A

CAS 29639-67-6 · C9H14N2O2S

01Identity

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

Lazychem IDLC-29485
PubChem CID73845636
NameThiopental EP Impurity A
CAS RN29639-67-6
Molecular formulaC9H14N2O2S
Molecular weight214.28 g/mol
IUPAC name5-[(1RS)-1-Methylbutyl]-2-thioxo-2,3-dihydropyrimidine-4,6(1H,5H)-dione
InChIKeyLPLXQFNRPIWUOF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 73845636
Two-dimensional chemical structure of Thiopental EP Impurity A, CAS 29639-67-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESO=C1C(C(C)CCC)C(NC(N1)=S)=O
InChINot listed
Formula from structureC9H14N2O2S
Molecular weight from structure214.28 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India 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 29639-67-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 29639-67-6 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.

05Names and relationships

Associated parent compound

Thiopental

View associated product family

Other names

  • 5-(1-Methylbutyl)-2-thiobarbituric acid
  • Desethylthiopental
  • 5-pentan-2-yl-2-sulfanylidene-1, 3-diazinane-4, 6-dione

Related records from the same parent family

No related records are linked by parent name.

06Documented 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.

07Sources