Basic information
- CAS
661491-47-0- Standard SMILES
NC(=S)c1cnn(-c2ccccc2)c1N- InChIKey
SHWLFKFVZSPCFR-UHFFFAOYSA-N- Molecular formula
- C10H10N4S
- Average molar mass
- 218.28 g/mol
- Monoisotopic mass
- 218.06261751
Names & identifiers
- Preferred name
- 5-amino-1-phenyl-1H-pyrazole-4-carbothioamide
- IUPAC
- 5-amino-1-phenylpyrazole-4-carbothioamide
Names & synonyms
661491-47-05-amino-1-phenyl-1H-pyrazole-4-carbothioamide5-amino-1-phenylpyrazole-4-carbothioamide1H-Pyrazole-4-carbothioamide, 5-amino-1-phenyl-SBB041629amino(5-amino-1-phenylpyrazol-4-yl)methane-1-thioneNSC405448DTXSID50408456AKOS000269772NSC-405448ST104850ST45174845
Database identifiers
- CAS
661491-47-0- PubChem CID
- 5111999
- DTXSID
DTXSID50408456
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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