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88045-65-2 | Pyrimidine, 4-methyl-2-(methylthio)-5-[[(methylthio)methoxy]methyl]-
CAS No: 88045-65-2 Catalog No: AG004IXV MDL No:
Product Description
Catalog Number:
AG004IXV
Chemical Name:
Pyrimidine, 4-methyl-2-(methylthio)-5-[[(methylthio)methoxy]methyl]-
CAS Number:
88045-65-2
Molecular Formula:
C9H14N2OS2
Molecular Weight:
230.3503
IUPAC Name:
4-methyl-2-methylsulfanyl-5-(methylsulfanylmethoxymethyl)pyrimidine
InChI:
InChI=1S/C9H14N2OS2/c1-7-8(5-12-6-13-2)4-10-9(11-7)14-3/h4H,5-6H2,1-3H3
InChI Key:
KHCJXGTYQXCMIN-UHFFFAOYSA-N
SMILES:
CSCOCc1cnc(nc1C)SC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.344g/mol
Monoisotopic Mass:
230.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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