Chemical identity

3-Thiomorpholinecarboxylic acid, 5-oxo-, 1-oxide

CAS 88620-38-6 · C5H7NO4S

01Identity

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

Lazychem IDLC-09468
PubChem CID20267823
Name3-Thiomorpholinecarboxylic acid, 5-oxo-, 1-oxide
CAS RN88620-38-6
Molecular formulaC5H7NO4S
Molecular weight177.17 g/mol
IUPAC name5-oxothiomorpholine-3-carboxylic acid 1-oxide
InChIKeyDQJJKQZLLKOVPS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 20267823
Two-dimensional chemical structure of 3-Thiomorpholinecarboxylic acid, 5-oxo-, 1-oxide, CAS 88620-38-6
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 stereocentres2
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C(NC(=O)CS1=O)C(=O)O
InChINot listed
Formula from structureC5H7NO4S
Molecular weight from structure177.17 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 88620-38-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 88620-38-6 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

Carbocisteine

View API and impurity family

Other names

  • Carbocisteine Impurity 2
  • 3-Thiomorpholinecarboxylic acid, 5-oxo-, 1-oxide
  • 88620-38-6
  • 5-oxothiomorpholine-3-carboxylic acid 1-oxide
  • CHEMBL306140
  • 1,5-dioxo-1,4-thiazinane-3-carboxylic acid
  • Carbocisteine Impurity 5
  • SCHEMBL9800837
  • DTXSID90604354
  • BDBM50405110
  • G87499
  • 1,5-Dioxo-1lambda~4~,4-thiazinane-3-carboxylic acid

Related records from the same parent family

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