Home Carboxys 4-(methylsulfanyl)pyrimidine-2-carboxylic acid

4-(methylsulfanyl)pyrimidine-2-carboxylic acid

CAS No.:
1211589-74-0
Catalog Number:
AG01ANGV
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
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Product Description
Catalog Number:
AG01ANGV
Chemical Name:
4-(methylsulfanyl)pyrimidine-2-carboxylic acid
CAS Number:
1211589-74-0
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD17677196
IUPAC Name:
4-methylsulfanylpyrimidine-2-carboxylic acid
InChI:
InChI=1S/C6H6N2O2S/c1-11-4-2-3-7-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
PFPCYIHYOPAJPI-UHFFFAOYSA-N
SMILES:
CSc1ccnc(n1)C(=O)O
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties