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101084-51-9 | 6-Benzothiazolecarboxamide
CAS No: 101084-51-9 Catalog No: AG0003PE MDL No:MFCD11643189
Product Description
Catalog Number:
AG0003PE
Chemical Name:
6-Benzothiazolecarboxamide
CAS Number:
101084-51-9
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD11643189
IUPAC Name:
1,3-benzothiazole-6-carboxamide
InChI:
InChI=1S/C8H6N2OS/c9-8(11)5-1-2-6-7(3-5)12-4-10-6/h1-4H,(H2,9,11)
InChI Key:
IQFCJGFQUZORLM-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)scn2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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