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90417-41-7 | 2-ACETAMIDO-BENZO[D]THIAZOLE 3-OXIDE
CAS No: 90417-41-7 Catalog No: AG006E08 MDL No:
Product Description
Catalog Number:
AG006E08
Chemical Name:
2-ACETAMIDO-BENZO[D]THIAZOLE 3-OXIDE
CAS Number:
90417-41-7
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
N-(3-hydroxy-1,3-benzothiazol-2-ylidene)acetamide
InChI:
InChI=1S/C9H8N2O2S/c1-6(12)10-9-11(13)7-4-2-3-5-8(7)14-9/h2-5,13H,1H3
InChI Key:
BXFVQVSSLMKUJD-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc2c([n+]1[O-])cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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