Basic information
- CAS
77052-75-6- Standard SMILES
O=C(CCSC(=S)Nc1ccc(Cl)cc1)NNc1ccccc1- InChIKey
MWEHUOMLXUESHL-UHFFFAOYSA-N- Molecular formula
- C16H16ClN3OS2
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.0423322
Names & identifiers
- Preferred name
- 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate
- IUPAC
- [3-oxo-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carbamodithioate
Names & synonyms
77052-75-6DTXSID204046273-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioateRefChem:281510DTXCID00355481NSC348093NSC-348093DS-0085353-Oxo-3-(2-phenylhydrazino)propyl (4-chlorophenyl)dithiocarbamate[3-oxo-3-(2-phenylhydrazino)propyl] N-(4-chlorophenyl)carbamodithioate1-[2-(anilinocarbamoyl)ethylsulfanyl]-N-(4-chlorophenyl)methanethioamide3-Oxo-3-(2-phenylhydrazin-1-yl)propyl (4-chlorophenyl)carbamodithioate
Database identifiers
- CAS
77052-75-6- PubChem CID
- 4589736
- DTXSID
DTXSID20404627
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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