Home Carboxys 4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid

4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid

CAS No.:
1104276-29-0
Catalog Number:
AG00HBPW
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
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Product Description
Catalog Number:
AG00HBPW
Chemical Name:
4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid
CAS Number:
1104276-29-0
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
MDL Number:
MFCD12093746
IUPAC Name:
4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H7N3O2S/c1-5-6(9(13)14)15-8(12-5)7-10-3-2-4-11-7/h2-4H,1H3,(H,13,14)
InChI Key:
LSOLFLCPKUKMAX-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)c1ncccn1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties