Home Aminos 3-[(1,3-thiazol-2-yl)amino]benzoic acid

3-[(1,3-thiazol-2-yl)amino]benzoic acid

CAS No.:
1099057-19-8
Catalog Number:
AG019UU9
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
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Product Description
Catalog Number:
AG019UU9
Chemical Name:
3-[(1,3-thiazol-2-yl)amino]benzoic acid
CAS Number:
1099057-19-8
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD11649236
IUPAC Name:
3-(1,3-thiazol-2-ylamino)benzoic acid
InChI:
InChI=1S/C10H8N2O2S/c13-9(14)7-2-1-3-8(6-7)12-10-11-4-5-15-10/h1-6H,(H,11,12)(H,13,14)
InChI Key:
HBIGPTCLOQMDDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Nc1nccs1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties