Basic information
- CAS
21195-60-8- Standard SMILES
C=C(C)C1CC=C(C)C(=NNS(=O)(=O)c2ccc(C)cc2)C1- InChIKey
LQTCWPVRCJSHCG-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.14019912
Names & identifiers
- Preferred name
- 4-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
- IUPAC
- 4-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
- English name
- 4-methyl-N-[(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enylidene)amino]benzenesulfonamide
- Molecular formula
- C17H22N2O2S
- Molecular weight
- 318.44
Names & synonyms
21195-60-8DTXSID209435264-Methyl-N'-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]benzene-1-sulfonohydrazide4-methyl-N-[(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enylidene)amino]benzenesulfonamide
Database identifiers
- CAS
21195-60-8- PubChem CID
- 280418
- DTXSID
DTXSID20943526
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- Melting point
- 156 · 156-158 °C
- Boiling point
- 456.893 · 456.893±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.156 · 1.156±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.643 · 9.643±0.60(predicted)
Chemistry & industry
Suppliers1 total
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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