Home Carboxys 6-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

6-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

CAS No.:
1118787-11-3
Catalog Number:
AG019UNX
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
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Product Description
Catalog Number:
AG019UNX
Chemical Name:
6-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
CAS Number:
1118787-11-3
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD11857887
IUPAC Name:
6-cyclopropyl-2-methylsulfanylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H10N2O2S/c1-14-9-10-6(5-2-3-5)4-7(11-9)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChI Key:
CTIULVWBXFFROZ-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)C(=O)O)C1CC1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties