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211244-80-3 | 2-Propenoic acid, 3-[4-amino-2-(methylthio)-5-pyrimidinyl]-, ethyl ester
CAS No: 211244-80-3 Catalog No: AG002L81 MDL No:MFCD21648229
Product Description
Catalog Number:
AG002L81
Chemical Name:
2-Propenoic acid, 3-[4-amino-2-(methylthio)-5-pyrimidinyl]-, ethyl ester
CAS Number:
211244-80-3
Molecular Formula:
C10H13N3O2S
Molecular Weight:
239.2941
MDL Number:
MFCD21648229
IUPAC Name:
ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
InChI:
InChI=1S/C10H13N3O2S/c1-3-15-8(14)5-4-7-6-12-10(16-2)13-9(7)11/h4-6H,3H2,1-2H3,(H2,11,12,13)/b5-4+
InChI Key:
MTNLADVXCOTFLC-SNAWJCMRSA-N
SMILES:
CCOC(=O)C=Cc1cnc(nc1N)SC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.293g/mol
Monoisotopic Mass:
239.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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