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95203-24-0 | 4-Benzothiazolecarboxamide, 4,5,6,7-tetrahydro-
CAS No: 95203-24-0 Catalog No: AG005SPW MDL No:
Product Description
Catalog Number:
AG005SPW
Chemical Name:
4-Benzothiazolecarboxamide, 4,5,6,7-tetrahydro-
CAS Number:
95203-24-0
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
IUPAC Name:
4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
InChI:
InChI=1S/C8H10N2OS/c9-8(11)5-2-1-3-6-7(5)10-4-12-6/h4-5H,1-3H2,(H2,9,11)
InChI Key:
NZQXASHNMHSKCO-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCCc2c1ncs2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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