Basic information
- CAS
16601-40-4- Standard SMILES
O=S(=O)(Cc1ccccc1)SCc1ccccc1- InChIKey
LAVBKIWRWNKSGD-UHFFFAOYSA-N- Molecular formula
- C14H14O2S2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.04352203
Names & identifiers
- Preferred name
- Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester
- IUPAC
- benzylsulfonylsulfanylmethylbenzene
Names & synonyms
S-Benzyl phenylmethanesulfonothioate16601-40-4Benzenemethanesulfonothioic acid, S-(phenylmethyl) esterNSC 74663NSC74663NSC-74663S-Benzyl phenylmethanethiosulfonatebenzylsulfonylsulfanylmethylbenzeneQ8R7PV32QBCHEMBL2000292DTXSID4075112SCHEMBL26186721
Show more names
LAVBKIWRWNKSGD-UHFFFAOYSA-NS-Benzyl phenylmethanesulfonothioate #NCI60_041635S-(Phenylmethyl) benzenemethanesulfonothioate
Database identifiers
- CAS
16601-40-4- PubChem CID
- 252586
- DTXSID
DTXSID4075112- ChEMBL
CHEMBL2000292- UNII
- Q8R7PV32QB
- Nikkaji
- J2.128.544G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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