Home Carboxys 2-Aminobenzo[d]thiazole-7-carboxylic acid

2-Aminobenzo[d]thiazole-7-carboxylic acid

CAS No.:
71224-95-8
Catalog Number:
AG006A24
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
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Product Description
Catalog Number:
AG006A24
Chemical Name:
2-Aminobenzo[d]thiazole-7-carboxylic acid
CAS Number:
71224-95-8
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD13195418
IUPAC Name:
2-amino-1,3-benzothiazole-7-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChI Key:
VTUAYVWUPOHGAU-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)c(ccc2)C(=O)O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties