4-amino-N'-[1-(2-hy...

4-amino-N'-[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]benzenesulfonohydrazide(CAS No. 5460-20-8)

4-amino-N'-[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]benzenesulfonohydrazide(CAS No. 5460-20-8)

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Keywords

4-amino-N-[1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]benzenesulfonohydrazide 5460-20-8 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
4-amino-N'-[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]benzenesulfonohydrazide
【CAS Registry number】
5460-20-8
【Synonyms】
AC1NS6JV
ZINC04429510
4-amino-N'
-[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]benzenesulfonohydrazide
【Molecular Formula】
C14H15N3O4S (Products with the same molecular formula)
【Molecular Weight】
321.3516
【Inchi】
InChI=1/C14H15N3O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,16-17,19H,15H2,1H3
【Canonical SMILES】
CC(=C1C=CC(=O)C=C1O)NNS(=O)(=O)C2=CC=C(C=C2)N
【MOL File】
5460-20-8.mol
Chemical and Physical Properties
【Density】
1.487g/cm3
【Boiling Point】
504.6°C at 760 mmHg
【Refractive Index】
1.686
【Flash Point】
259°C
【Computed Properties】
Molecular Weight:321.3516 [g/mol]
Molecular Formula:C14H15N3O4S
XLogP3-AA:1.3
H-Bond Donor:4
H-Bond Acceptor:7
Rotatable Bond Count:4
Tautomer Count:21
Exact Mass:321.078327
MonoIsotopic Mass:321.078327
Topological Polar Surface Area:130
Heavy Atom Count:22
Formal Charge:0
Complexity:636
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:4
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:43

 

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