Basic information
- CAS
17336-59-3- Standard SMILES
Cc1ccc(S(=O)(=O)NN=C2CCCc3ccccc32)cc1- InChIKey
KQNWJQOEQKMDHH-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.10889899
Names & identifiers
- Preferred name
- N'-(3,4-Dihydronaphthalen-1(2H)-ylidene)-4-methylbenzene-1-sulfonohydrazide
- IUPAC
- N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-methylbenzenesulfonamide
- English name
- Benzenesulfonic acid,4-methyl-, 2-(3,4-dihydro-1(2H)-naphthalenylidene)hydrazide
- Molecular formula
- C17H18N2O2S
- Molecular weight
- 314.4
Names & synonyms
MLS00292013517336-59-3SCHEMBL6081531CHEMBL1881701DTXSID20938371N'-(3,4-Dihydronaphthalen-1(2H)-ylidene)-4-methylbenzene-1-sulfonohydrazideSMR001797732N'-(3,4-DIHYDRO-1(2H)-NAPHTHALENYLIDENE)-4-METHYLBENZENESULFONOHYDRAZIDEN'-(3,4-DIHYDRO-1(2H)-NAPHTHALENYLIDENE)-4-METHYLBENZENESULFONOHYDRAZIDEBenzenesulfonic acid,4-methyl-, 2-(3,4-dihydro-1(2H)-naphthalenylidene)hydrazide
Database identifiers
- CAS
17336-59-3- PubChem CID
- 280414
- DTXSID
DTXSID20938371- ChEMBL
CHEMBL1881701
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 489.325 · 489.325±48.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.260±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.74 · 9.740±0.20(predicted)
Chemistry & industry
Suppliers2 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…