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157664-66-9 | 2,4-Pentadiyn-1-ol, 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]-
CAS No: 157664-66-9 Catalog No: AG001PLQ MDL No:
Product Description
Catalog Number:
AG001PLQ
Chemical Name:
2,4-Pentadiyn-1-ol, 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]-
CAS Number:
157664-66-9
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
IUPAC Name:
5-(4-methyl-2-methylsulfanylpyrimidin-5-yl)penta-2,4-diyn-1-ol
InChI:
InChI=1S/C11H10N2OS/c1-9-10(6-4-3-5-7-14)8-12-11(13-9)15-2/h8,14H,7H2,1-2H3
InChI Key:
JDGGHEUGDJNBKI-UHFFFAOYSA-N
SMILES:
OCC#CC#Cc1cnc(nc1C)SC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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