Basic information
- CAS
89273-00-7- Standard SMILES
S=C(SCc1ccccc1)c1cnc[nH]1- InChIKey
BPDHRFNPJRKXGF-UHFFFAOYSA-N- Molecular formula
- C11H10N2S2
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.02854067
Names & identifiers
- Preferred name
- benzyl 1H-imidazole-5-carbodithioate
- IUPAC
- benzyl 1H-imidazole-5-carbodithioate
Names & synonyms
benzyl 1H-imidazole-5-carbodithioate89273-00-7DTXSID10541737
Database identifiers
- CAS
89273-00-7- PubChem CID
- 13475331
- DTXSID
DTXSID10541737- Nikkaji
- J2.193.419D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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