4-[(E)-(4-Methoxyphenyl)diazenyl]-3,5-dimethyl-1H-pyrazole-1-carbothioamide
Basic information
- CAS
35872-22-1- Standard SMILES
COc1ccc(N=Nc2c(C)nn(C(N)=S)c2C)cc1- InChIKey
AYSMKNOUQZRVLI-UHFFFAOYSA-N- Molecular formula
- C13H15N5OS
- Average molar mass
- 289.36 g/mol
- Monoisotopic mass
- 289.09973129
Names & identifiers
- Preferred name
- 4-[(E)-(4-Methoxyphenyl)diazenyl]-3,5-dimethyl-1H-pyrazole-1-carbothioamide
- IUPAC
- 4-[(4-methoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbothioamide
Names & synonyms
35872-22-1NSC347775DTXSID903979164-[(E)-(4-Methoxyphenyl)diazenyl]-3,5-dimethyl-1H-pyrazole-1-carbothioamideNSC-347775DS-0145554-(4-Methoxyphenyl)diazenyl-3,5-dimethyl-pyrazole-1-carbothioamide
Database identifiers
- CAS
35872-22-1- PubChem CID
- 3911989
- DTXSID
DTXSID90397916
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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