1,3-Dithiolane, 2-(o-chlorophenyl)-

HCID 55015

Notes Reactions

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Basic information

CAS: 83521-68-0
Standard SMILES: Clc1ccccc1C1SCCS1
InChIKey: XRQMZWGXCMEAKW-UHFFFAOYSA-N
Molecular formula: C9H9ClS2
Average molar mass: 216.8 g/mol
Monoisotopic mass: 215.9834203

Names & identifiers

Preferred name: 1,3-Dithiolane, 2-(o-chlorophenyl)-
IUPAC: 2-(2-chlorophenyl)-1,3-dithiolane

Names & synonyms

2-(o-Chlorophenyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(o-CHLOROPHENYL)-BRN 551524483521-68-0DTXSID30232418RefChem:219180DTXCID301549092-(2-chlorophenyl)-1,3-dithiolaneSCHEMBL10644380XRQMZWGXCMEAKW-UHFFFAOYSA-N

Database identifiers

CAS: 83521-68-0
PubChem CID: 55015
DTXSID: DTXSID30232418
Nikkaji: J91.145C

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Related reactions

2 records

New reaction record

HRID 482781As productuspto-grants-1986_03

HRID 1137265As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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