Identitet

Phenylmercapturic Acid

Ikke angivet · C11H13NO3S

01Identitet

Lazychem IDLC-97537
CAS RNIkke angivet
PubChem CID2723735
Molecular formulaC11H13NO3S
Molecular weight239.29 g/mol
IUPAC name(2R)-2-acetamido-3-phenylsulfanylpropanoic acid
InChIKeyCICOZWHZVMOPJS-JTQLQIEISA-N

02Struktur og stereokemi

2D structurePubChem CID 2723735
Two-dimensional chemical structure of Phenylmercapturic Acid
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC(=O)N[C@@H](CSC1=CC=CC=C1)C(=O)O
InChIIkke angivet

03Stereochemistry

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

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

Published same-connectivity configurations

2 records

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.

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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

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