Basic information
- CAS
83521-69-1- Standard SMILES
Clc1ccc(C2SCCS2)cc1Cl- InChIKey
KRHVSKHNFWHHLE-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2S2
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 249.944448
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(3,4-dichlorophenyl)-
- IUPAC
- 2-(3,4-dichlorophenyl)-1,3-dithiolane
Names & synonyms
2-(3,4-Dichlorophenyl)-1,3-dithiolaneBRN 55234121,3-DITHIOLANE, 2-(3,4-DICHLOROPHENYL)-83521-69-1DTXSID90232419RefChem:219174DTXCID401549102-(3,4-Dichlorophenyl)-1,3-dithiolane, AldrichCPR
Database identifiers
- CAS
83521-69-1- PubChem CID
- 55016
- DTXSID
DTXSID90232419- Nikkaji
- J91.148H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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