Home Carboxys 4-Benzothiazolecarboxylic acid

4-Benzothiazolecarboxylic acid

CAS No.:
1260529-67-6
Catalog Number:
AG000QTW
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$288
- +
1g
95%
1 week
United States
$663
- +
Product Description
Catalog Number:
AG000QTW
Chemical Name:
4-Benzothiazolecarboxylic acid
CAS Number:
1260529-67-6
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD20040407
IUPAC Name:
1,3-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C8H5NO2S/c10-8(11)5-2-1-3-6-7(5)9-4-12-6/h1-4H,(H,10,11)
InChI Key:
XBFRQODQXBMILB-UHFFFAOYSA-N
SMILES:
OC(=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:
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:
1.9  
Properties