Home Other Building Blocks 2-Benzothiazolecarboxamide

2-Benzothiazolecarboxamide

CAS No.:
29198-43-4
Catalog Number:
AG002XNE
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$184
- +
Product Description
Catalog Number:
AG002XNE
Chemical Name:
2-Benzothiazolecarboxamide
CAS Number:
29198-43-4
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD03731182
IUPAC Name:
1,3-benzothiazole-2-carboxamide
InChI:
InChI=1S/C8H6N2OS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,11)
InChI Key:
LYASTVLDAJIXBL-UHFFFAOYSA-N
SMILES:
NC(=O)c1nc2c(s1)cccc2
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:
1.5  
Literature
Title Journal
Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors. Bioorganic & medicinal chemistry letters 20120801
Properties