Home Carboxys 6-Methyl-2-benzothiazolecarboxylic acid

6-Methyl-2-benzothiazolecarboxylic acid

CAS No.:
3507-18-4
Catalog Number:
AG00CPB8
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95+%
1 week
United States
$291
- +
Product Description
Catalog Number:
AG00CPB8
Chemical Name:
6-Methyl-2-benzothiazolecarboxylic acid
CAS Number:
3507-18-4
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD11217428
IUPAC Name:
6-methyl-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c1-5-2-3-6-7(4-5)13-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
OIWCTIAIDPNAOO-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)C(=O)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties