2-Phenylthiolane

HCID 596288

Notes Reactions

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Basic information

CAS: 2060-65-3
Standard SMILES: c1ccc(C2CCCS2)cc1
InChIKey: MPVOADXYDASAQE-UHFFFAOYSA-N
Molecular formula: C10H12S
Average molar mass: 164.27 g/mol
Monoisotopic mass: 164.06597156

Names & identifiers

Preferred name: 2-Phenylthiolane
IUPAC: 2-phenylthiolane

Names & synonyms

2-Phenylthiolane2060-65-32-Phenyltetrahydrothiophene2-phenylthiacyclopentane2-Phenyltetrahydrothiophene #SCHEMBL2951171SCHEMBL3551104SCHEMBL28532517DTXSID20344372

Database identifiers

CAS: 2060-65-3
PubChem CID: 596288
DTXSID: DTXSID20344372
Nikkaji: J1.462.097D

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Related reactions

2 records

New reaction record

HRID 168717As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1032712As reactantuspto-grants-1990_09

Compound notes

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