4-Methyl-N'-(1-(2-thienyl)ethylidene)benzenesulfonohydrazide
Basic information
- CAS
68728-03-0- Standard SMILES
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1- InChIKey
QYIGWVSKOVPXJX-SDNWHVSQSA-N- Molecular formula
- C13H14N2O2S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.04967004
Names & identifiers
- Preferred name
- 4-Methyl-N'-(1-(2-thienyl)ethylidene)benzenesulfonohydrazide
- IUPAC
- 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide
- English name
- Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide
- Molecular formula
- C13H14N2O2S2
- Molecular weight
- 294.4
Names & synonyms
68728-03-0NSC2549824-METHYL-N'-(1-(2-THIENYL)ETHYLIDENE)BENZENESULFONOHYDRAZIDE4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide2-ACETYLTHIOPHENE P-TOLUENESULFONYLHYDRAZONE4-methyl-N'-[1-(2-thienyl)ethylidene]benzenesulfonohydrazideMLS000530180CHEMBL3189171DTXSID80416706AKOS000979927NSC-254982SMR000135157
Show more names
Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide
BIM-0011523.P001H81862SR-01000197188SR-01000197188-14-Methyl-N'-[(1E)-1-(thiophen-2-yl)ethylidene]benzene-1-sulfonohydrazide
Database identifiers
- CAS
68728-03-0- PubChem CID
- 5337684
- DTXSID
DTXSID80416706- ChEMBL
CHEMBL3189171- EC Number
- 114-658-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 209 · 209-210 °C
- Boiling point
- 444.813 · 444.813±47.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.295 · 1.295±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.658 · 9.658±0.40(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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