Identité

1-Phenylethanethiol

Non indiqué · C8H10S

01Identité

Lazychem IDLC-114211
CAS RNNon indiqué
PubChem CID141850
Molecular formulaC8H10S
Molecular weight138.23 g/mol
IUPAC name1-phenylethanethiol
InChIKeyQZZBJCFNHPYNKO-UHFFFAOYSA-N

02Structure et stéréochimie

2D structurePubChem CID 141850
Two-dimensional chemical structure of 1-Phenylethanethiol
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC(C1=CC=CC=C1)S
InChINon indiqué

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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources