Home Carboxys 4-Methylbenzo[d]thiazole-2-carboxylic acid

4-Methylbenzo[d]thiazole-2-carboxylic acid

CAS No.:
3507-47-9
Catalog Number:
AG0037D5
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
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Product Description
Catalog Number:
AG0037D5
Chemical Name:
4-Methylbenzo[d]thiazole-2-carboxylic acid
CAS Number:
3507-47-9
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD11217404
IUPAC Name:
4-methyl-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c1-5-3-2-4-6-7(5)10-8(13-6)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
OGZSALMHZWEKSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(n1)c(C)ccc2
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