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1191094-23-1 | 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(methylthio)-, ethyl ester
CAS No: 1191094-23-1 Catalog No: AG000I7Q MDL No:
Product Description
Catalog Number:
AG000I7Q
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(methylthio)-, ethyl ester
CAS Number:
1191094-23-1
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
IUPAC Name:
ethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C11H14N2O2S/c1-3-15-10(14)8-6-12-11(16-2)13-9(8)7-4-5-7/h6-7H,3-5H2,1-2H3
InChI Key:
JWQNZVNBLPBLTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C1CC1)SC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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