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N-(2,4-dinitrophenyl)thiophene-2-sulfonamide 54087-34-2 98%
Identification and Related Records
【Name】
N-(2,4-dinitrophenyl)thiophene-2-sulfonamide
【Iupac name】
N-(2,4-dinitrophenyl)thiophene-2-sulfonamide
【CAS Registry number】
54087-34-2
【Synonyms】
NSC298149
AC1L6YJA
NSC-298149
N-(2,4-dinitrophenyl)thiophene-2-sulfonamide
54087-34-2
【Molecular Formula】
C10H7N3O6S2 (Products with the same molecular formula)
【Molecular Weight】
329.3091
【Inchi】
InChI=1/C10H7N3O6S2/c14-12(15)7-3-4-8(9(6-7)13(16)17)11-21(18,19)10-2-1-5-20-10/h1-6,11H
【Canonical SMILES】
C1=CSC(=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.717g/cm3
【Boiling Point】
523.9°C at 760 mmHg
【Refractive Index】
1.7
【Flash Point】
270.6°C
【Computed Properties】
Molecular Weight:329.30908 [g/mol]
Molecular Formula:C10H7N3O6S2
XLogP3-AA:2.7
H-Bond Donor:1
H-Bond Acceptor:8
Rotatable Bond Count:3
Exact Mass:328.977626
MonoIsotopic Mass:328.977626
Topological Polar Surface Area:174
Heavy Atom Count:21
Formal Charge:0
Complexity:508
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:6
Feature 3D Donor Count:1
Feature 3D Anion Count:2
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:24
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