Home Carboxys 2-Methylbenzothiazole-7-carboxylic acid

2-Methylbenzothiazole-7-carboxylic acid

CAS No.:
1261635-97-5
Catalog Number:
AG00HJ1O
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$315
- +
Product Description
Catalog Number:
AG00HJ1O
Chemical Name:
2-Methylbenzothiazole-7-carboxylic acid
CAS Number:
1261635-97-5
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD18417401
IUPAC Name:
2-methyl-1,3-benzothiazole-7-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c1-5-10-7-4-2-3-6(9(11)12)8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key:
MBPREMIBRBVZQQ-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)c(ccc2)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:
2.3  
Properties