Basic information
- Standard SMILES
CSCSc1ccccc1- InChIKey
GHFOUUIPGDXZFV-UHFFFAOYSA-N- Molecular formula
- C8H10S2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.02239232
Names & identifiers
- Preferred name
- Benzene, [[(methylthio)methyl]thio]-
- IUPAC
- methylsulfanylmethylsulfanylbenzene
Names & synonyms
Benzene, [[(methylthio)methyl]thio]-56772-75-9Phenylthio-methylthio-methane{[(METHYLSULFANYL)METHYL]SULFANYL}BENZENESCHEMBL11661294DTXSID20472780GHFOUUIPGDXZFV-UHFFFAOYSA-N
Database identifiers
- CAS
56772-75-9- PubChem CID
- 11789655
- DTXSID
DTXSID20472780- Nikkaji
- J1.723.212F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Related reactions
2 records
Linked notes
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