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Home Carboxys 2-Methylbenzothiazole-6-carboxylic acid

2-Methylbenzothiazole-6-carboxylic acid

CAS No.:
6941-28-2
Catalog Number:
AG005ZRB
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG005ZRB
Chemical Name:
2-Methylbenzothiazole-6-carboxylic acid
CAS Number:
6941-28-2
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD07394023
IUPAC Name:
2-methyl-1,3-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key:
SWCQGCDTPJOMFY-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)cc(cc2)C(=O)O
NSC Number:
60500
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  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties