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56354-98-4 | 6-Amino-1,3-benzothiazol-2(3H)-one
CAS No: 56354-98-4 Catalog No: AG0034BJ MDL No:MFCD07792930
Product Description
Catalog Number:
AG0034BJ
Chemical Name:
6-Amino-1,3-benzothiazol-2(3H)-one
CAS Number:
56354-98-4
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD07792930
IUPAC Name:
6-amino-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
InChI Key:
CLYCLRFHPKKUBR-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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