Home Carboxys 5-methyl-1,2-benzothiazole-3-carboxylic acid

5-methyl-1,2-benzothiazole-3-carboxylic acid

CAS No.:
50789-12-3
Catalog Number:
AG01B1JI
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
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Product Description
Catalog Number:
AG01B1JI
Chemical Name:
5-methyl-1,2-benzothiazole-3-carboxylic acid
CAS Number:
50789-12-3
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD16990980
IUPAC Name:
5-methyl-1,2-benzothiazole-3-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c1-5-2-3-7-6(4-5)8(9(11)12)10-13-7/h2-4H,1H3,(H,11,12)
InChI Key:
OASMYKUXMJUVAF-UHFFFAOYSA-N
SMILES:
Cc1cc2c(nsc2cc1)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:
2.5  
Properties