Home Carboxys Benzothiazole-5-carboxylic acid

Benzothiazole-5-carboxylic acid

CAS No.:
68867-17-4
Catalog Number:
AG00FASQ
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$88
- +
5g
97%
In Stock USA
United States
$263
- +
10g
97%
In Stock USA
United States
$450
- +
25g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00FASQ
Chemical Name:
Benzothiazole-5-carboxylic acid
CAS Number:
68867-17-4
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD06796380
IUPAC Name:
1,3-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C8H5NO2S/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)
InChI Key:
RBIZQDIIVYJNRS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncs2
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties