Basic information
- CAS
29276-93-5- Standard SMILES
Cc1ccccc1N=Nc1c(C)nn(C(N)=S)c1C- InChIKey
DANXIPIOCOPDQP-UHFFFAOYSA-N- Molecular formula
- C13H15N5S
- Average molar mass
- 273.36 g/mol
- Monoisotopic mass
- 273.10481667
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-[(2-methylphenyl)diazenyl]pyrazole-1-carbothioamide
- IUPAC
- 3,5-dimethyl-4-[(2-methylphenyl)diazenyl]pyrazole-1-carbothioamide
Names & synonyms
29276-93-5NSC1271113,5-dimethyl-4-[(2-methylphenyl)diazenyl]pyrazole-1-carbothioamideDTXSID20407512NSC-1271113,5-Dimethyl-4-[(E)-(2-methylphenyl)diazenyl]-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
29276-93-5- PubChem CID
- 5012802
- DTXSID
DTXSID20407512
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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