Home Carboxys 5-(phenylamino)-1,3-thiazole-4-carboxylic acid

5-(phenylamino)-1,3-thiazole-4-carboxylic acid

CAS No.:
84636-43-1
Catalog Number:
AG01ADTI
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
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Product Description
Catalog Number:
AG01ADTI
Chemical Name:
5-(phenylamino)-1,3-thiazole-4-carboxylic acid
CAS Number:
84636-43-1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD20376240
IUPAC Name:
5-anilino-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2S/c13-10(14)8-9(15-6-11-8)12-7-4-2-1-3-5-7/h1-6,12H,(H,13,14)
InChI Key:
LHSFOSULVDZRBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncsc1Nc1ccccc1
Properties
Complexity:
232  
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:
3.2  
Properties