4-amino-N'-[(2E)-bu...

4-amino-N'-[(2E)-butan-2-ylidene]benzenesulfonohydrazide 5448-62-4

4-amino-N'-[(2E)-butan-2-ylidene]benzenesulfonohydrazide 5448-62-4

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

4-amino-N-(butan-2-ylideneamino)benzenesulfonamide 5448-62-4 98%

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  • ProductionCapacity:100|Kilogram|Month
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Details:

【Name】
4-amino-N'-[(2E)-butan-2-ylidene]benzenesulfonohydrazide
【Iupac name】
4-amino-N-[(E)-butan-2-ylideneamino]benzenesulfonamide
【CAS Registry number】
5448-62-4
【Synonyms】
NSC18057
NSC-18057
5448-62-4
【Molecular Formula】
C10H15N3O2S (Products with the same molecular formula)
【Molecular Weight】
241.31
【Inchi】
InChI=1/C10H15N3O2S/c1-3-8(2)12-13-16(14,15)10-6-4-9(11)5-7-10/h4-7,13H,3,11H2,1-2H3/b12-8+
【Canonical SMILES】
CCC(=NNS(=O)(=O)C1=CC=C(C=C1)N)C
【Isomers smiles】
CC/C(=N/NS(=O)(=O)C1=CC=C(C=C1)N)/C
【MOL File】
5448-62-4.mol
Chemical and Physical Properties
【Density】
1.271g/cm3
【Boiling Point】
413.096°C at 760 mmHg
【Refractive Index】
1.583
【Flash Point】
203.634°C
【Computed Properties】
Molecular Weight:241.31 [g/mol]
Molecular Formula:C10H15N3O2S
XLogP3-AA:0.9
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:241.088497
MonoIsotopic Mass:241.088497
Topological Polar Surface Area:92.9
Heavy Atom Count:16
Formal Charge:0
Complexity:338
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:33

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