Basic information
- CAS
101258-18-8- Standard SMILES
CC(Cl)C(S)CS- InChIKey
OYLZHOVWWSXGFS-UHFFFAOYSA-N- Molecular formula
- C4H9ClS2
- Average molar mass
- 156.7 g/mol
- Monoisotopic mass
- 155.9834203
Names & identifiers
- Preferred name
- 1,2-Butanedithiol, 3-chloro-
- IUPAC
- 3-chlorobutane-1,2-dithiol
Names & synonyms
1,2-BUTANEDITHIOL, 3-CHLORO-101258-18-8RefChem:10521993-Chlorobutane-1,2-dithiol3-Chloro-1,2-butanedithiolBRL 567SCHEMBL2568807DTXSID10906029
Database identifiers
- CAS
101258-18-8- PubChem CID
- 58235
- DTXSID
DTXSID10906029
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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