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113917-99-0 | Acetic acid, 2-[[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester
CAS No: 113917-99-0 Catalog No: AG000A2I MDL No:
Product Description
Catalog Number:
AG000A2I
Chemical Name:
Acetic acid, 2-[[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester
CAS Number:
113917-99-0
Molecular Formula:
C10H11N3O2S2
Molecular Weight:
269.3432
IUPAC Name:
ethyl 2-(5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
InChI:
InChI=1S/C10H11N3O2S2/c1-3-15-8(14)6-17-9-7(4-11)5-12-10(13-9)16-2/h5H,3,6H2,1-2H3
InChI Key:
XAZMFMCMOHPSNB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1nc(SC)ncc1C#N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.337g/mol
Monoisotopic Mass:
269.029g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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