Basic information
- CAS
153170-01-5- Standard SMILES
O=c1sc(SCc2ccccc2)c(SCc2ccccc2)s1- InChIKey
CGCDGFZKPOUBBG-UHFFFAOYSA-N- Molecular formula
- C17H14OS4
- Average molar mass
- 362.6 g/mol
- Monoisotopic mass
- 361.99274976
Names & identifiers
- Preferred name
- 4,5-Bis(benzylsulfanyl)-2H-1,3-dithiol-2-one
- IUPAC
- 4,5-bis(benzylsulfanyl)-1,3-dithiol-2-one
Names & synonyms
SCHEMBL8318430DTXSID001251553AKOS001016899153170-01-54,5-Bis(benzylsulfanyl)-2H-1,3-dithiol-2-one4,5-Bis[(phenylmethyl)thio]-1,3-dithiol-2-oneZ56791771
Database identifiers
- CAS
153170-01-5- PubChem CID
- 2322367
- DTXSID
DTXSID001251553- Nikkaji
- J1.597.481H
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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