Hydrazinecarbodithioic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl ester
Basic information
- CAS
13046-52-1- Standard SMILES
CSC(=S)NNS(=O)(=O)c1ccc(C)cc1- InChIKey
DWNVCADXCXWSPB-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S3
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.00609115
Names & identifiers
- Preferred name
- Hydrazinecarbodithioic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl ester
- IUPAC
- methyl N-[(4-methylphenyl)sulfonylamino]carbamodithioate
Names & synonyms
13046-52-1Hydrazinecarbodithioic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl esterDTXSID90453985Methyl 2-(4-methylbenzene-1-sulfonyl)hydrazine-1-carbodithioate
Database identifiers
- CAS
13046-52-1- PubChem CID
- 11065699
- DTXSID
DTXSID90453985
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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