Basic information
- CAS
5424-45-3- Standard SMILES
CC(=NNC(N)=S)c1ccc([N+](=O)[O-])cc1- InChIKey
LLXZVONSOWGFJC-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2S
- Average molar mass
- 238.27 g/mol
- Monoisotopic mass
- 238.05244675
Names & identifiers
- Preferred name
- 2-[1-(4-Nitrophenyl)ethylidene]hydrazinecarbothioamide
- IUPAC
- [1-(4-nitrophenyl)ethylideneamino]thiourea
Names & synonyms
2-[1-(4-Nitrophenyl)ethylidene]hydrazine-1-carbothioamideSCHEMBL940509DTXSID9012081372-[1-(4-Nitrophenyl)ethylidene]hydrazinecarbothioamide
Database identifiers
- CAS
5424-45-3- PubChem CID
- 690104
- DTXSID
DTXSID901208137
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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