Basic information
- CAS
1159698-10-8- Standard SMILES
CC1=NN(C(N)=S)C(=O)C1N=Nc1ccc(O)cc1- InChIKey
UWAZOHPSNXWCDY-UHFFFAOYSA-N- Molecular formula
- C11H11N5O2S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.06334578
Names & identifiers
- Preferred name
- 4-[(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
- IUPAC
- 4-[(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
- English name
- 4-[(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
- Molecular formula
- C11H11N5O2S
- Molecular weight
- 277.3
Names & synonyms
4-[(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamideCHEMBL1560760HMS2629O13AN-329/401960364-[(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide1H-Pyrazole-1-carbothioamide, 4,5-dihydro-4-[2-(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-
Database identifiers
- CAS
1159698-10-8- PubChem CID
- 3800358
- ChEMBL
CHEMBL1560760
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Boiling point
- 475.9 · 475.9±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.26(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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