Basic information
- CAS
7651-47-0- Standard SMILES
CC(=NNC(N)=S)c1ccc(Cl)cc1- InChIKey
SIGLNNLOFZKOCC-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3S
- Average molar mass
- 227.71 g/mol
- Monoisotopic mass
- 227.0283962
Names & identifiers
- Preferred name
- 4'-Chloroacetophenone thiosemicarbazone
- IUPAC
- [1-(4-chlorophenyl)ethylideneamino]thiourea
Names & synonyms
7651-47-04'-CHLOROACETOPHENONE THIOSEMICARBAZONESCHEMBL941282SCHEMBL8593305DTXSID301283937AKOS017263383p-chloroacetophenone thio-semicarbazone2-[1-(4-Chlorophenyl)ethylidene]hydrazine-1-carbothioamide
Database identifiers
- CAS
7651-47-0- PubChem CID
- 724643
- DTXSID
DTXSID301283937
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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