s-Benzyl o-(4-bromophenyl) carbonodithioate
Basic information
- CAS
24464-27-5- Standard SMILES
S=C(Oc1ccc(Br)cc1)SCc1ccccc1- InChIKey
SVWKUEQKYMYDNQ-UHFFFAOYSA-N- Molecular formula
- C14H11BrOS2
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 337.94347
Names & identifiers
- Preferred name
- s-Benzyl o-(4-bromophenyl) carbonodithioate
- IUPAC
- O-(4-bromophenyl) benzylsulfanylmethanethioate
Names & synonyms
24464-27-5s-benzyl o-(4-bromophenyl) carbonodithioateDTXSID50947355Carbonic acid, dithio-, S-benzyl O-(p-bromophenyl) ester
Database identifiers
- CAS
24464-27-5- PubChem CID
- 190255
- DTXSID
DTXSID50947355
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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