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89587-92-8 | Hydrazinesulfonamide, 2-(3-ethyl-2(3H)-benzothiazolylidene)-
CAS No: 89587-92-8 Catalog No: AG0086GK MDL No:
Product Description
Catalog Number:
AG0086GK
Chemical Name:
Hydrazinesulfonamide, 2-(3-ethyl-2(3H)-benzothiazolylidene)-
CAS Number:
89587-92-8
Molecular Formula:
C9H12N4O2S2
Molecular Weight:
272.3472
IUPAC Name:
3-ethyl-2-(sulfamoylhydrazinylidene)-1,3-benzothiazole
InChI:
InChI=1S/C9H12N4O2S2/c1-2-13-7-5-3-4-6-8(7)16-9(13)11-12-17(10,14)15/h3-6,12H,2H2,1H3,(H2,10,14,15)
InChI Key:
AQLRTUYXHRKPPL-UHFFFAOYSA-N
SMILES:
CCn1c(=NNS(=O)(=O)N)sc2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.341g/mol
Monoisotopic Mass:
272.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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