Basic information
- CAS
193148-61-7- Standard SMILES
S=c1sc(SCCCCCl)c(SCCCCCl)s1- InChIKey
WGAUOBIKJOFEKR-UHFFFAOYSA-N- Molecular formula
- C11H16Cl2S5
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 377.9232618
Names & identifiers
- Preferred name
- 4,5-Bis(4-chlorobutylsulfanyl)-1,3-dithiole-2-thione
- IUPAC
- 4,5-bis(4-chlorobutylsulfanyl)-1,3-dithiole-2-thione
Names & synonyms
193148-61-7DTXSID2012301734,5-Bis[(4-chlorobutyl)thio]-1,3-dithiole-2-thione4,5-Bis[(4-chlorobutyl)sulfanyl]-2H-1,3-dithiole-2-thione
Database identifiers
- CAS
193148-61-7- PubChem CID
- 10691139
- DTXSID
DTXSID201230173
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…