Basic information
- CAS
83521-67-9- Standard SMILES
Clc1cccc(C2SCCS2)c1- InChIKey
YBEYXOZUUNCVBW-UHFFFAOYSA-N- Molecular formula
- C9H9ClS2
- Average molar mass
- 216.8 g/mol
- Monoisotopic mass
- 215.9834203
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(m-chlorophenyl)-
- IUPAC
- 2-(3-chlorophenyl)-1,3-dithiolane
Names & synonyms
2-(m-Chlorophenyl)-1,3-dithiolaneBRN 55133461,3-DITHIOLANE, 2-(m-CHLOROPHENYL)-83521-67-9DTXSID70232417RefChem:219178DTXCID701549082-(3-chlorophenyl)-1,3-dithiolane
Database identifiers
- CAS
83521-67-9- PubChem CID
- 55014
- DTXSID
DTXSID70232417- Nikkaji
- J91.144E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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