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76128-51-3 | Ethanone,1-[2-(2-benzothiazolyl)diazenyl]-, oxime
CAS No: 76128-51-3 Catalog No: AG005G58 MDL No:
Product Description
Catalog Number:
AG005G58
Chemical Name:
Ethanone,1-[2-(2-benzothiazolyl)diazenyl]-, oxime
CAS Number:
76128-51-3
Molecular Formula:
C9H8N4OS
Molecular Weight:
220.2510
IUPAC Name:
N'-(1,3-benzothiazol-2-ylamino)-N-oxoethanimidamide
InChI:
InChI=1S/C9H8N4OS/c1-6(13-14)11-12-9-10-7-4-2-3-5-8(7)15-9/h2-5H,1H3,(H,10,12)/b11-6-
InChI Key:
ZFSFHAGITKKLTE-WDZFZDKYSA-N
SMILES:
ON=C(N=Nc1nc2c(s1)cccc2)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.25g/mol
Monoisotopic Mass:
220.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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