Basic information
- CAS
5238-35-7- Standard SMILES
COc1ccc(N=Nc2c(C)nn(C(=S)SC)c2C)cc1- InChIKey
TYESVJDVJFJROW-UHFFFAOYSA-N- Molecular formula
- C14H16N4OS2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.07655349
Names & identifiers
- Preferred name
- Methyl 4-[(4-methoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbodithioate
- IUPAC
- methyl 4-[(4-methoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbodithioate
Names & synonyms
5238-35-7NSC346865methyl 4-[(4-methoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbodithioateDTXSID80319541NSC-346865Methyl 4-[(E)-(4-methoxyphenyl)diazenyl]-3,5-dimethyl-1H-pyrazole-1-carbodithioate
Database identifiers
- CAS
5238-35-7- PubChem CID
- 335776
- DTXSID
DTXSID80319541
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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