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1 Kilogram |
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N-(benzenesulfonyl)thiophene-2-carbohydrazide 98% C11H10N2O3S2
【Name】
N'-(phenylsulfonyl)thiophene-2-carbohydrazide
【Iupac name】
N'-(benzenesulfonyl)thiophene-2-carbohydrazide
【CAS Registry number】
5402-51-7
【Synonyms】
2-thiophenecarboxylic acid, 2-(phenylsulfonyl)hydrazide
【Molecular Formula】
C11H10N2O3S2 (Products with the same molecular formula)
【Molecular Weight】
282.3387
【Inchi】
InChI=1/C11H10N2O3S2/c14-11(10-7-4-8-17-10)12-13-18(15,16)9-5-2-1-3-6-9/h1-8,13H,(H,12,14)
【Canonical SMILES】
C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CS2
【MOL File】
5402-51-7.mol
Chemical and Physical Properties
【Density】
1.427g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.631
【Flash Point】
°C
【Computed Properties】
Molecular Weight:282.3387 [g/mol]
Molecular Formula:C11H10N2O3S2
XLogP3-AA:2.1
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:282.013284
MonoIsotopic Mass:282.013284
Topological Polar Surface Area:112
Heavy Atom Count:18
Formal Charge:0
Complexity:386
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:84
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