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100114-24-7 | Pyrimidine, 5-methyl-2-(methylthio)-
CAS No: 100114-24-7 Catalog No: AG0000Z6 MDL No:MFCD09991530
Product Description
Catalog Number:
AG0000Z6
Chemical Name:
Pyrimidine, 5-methyl-2-(methylthio)-
CAS Number:
100114-24-7
Molecular Formula:
C6H8N2S
Molecular Weight:
140.2061
MDL Number:
MFCD09991530
IUPAC Name:
5-methyl-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C6H8N2S/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
InChI Key:
HMROJJZKKIPDRB-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)C
Properties
Complexity:
79.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.041g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.204g/mol
Monoisotopic Mass:
140.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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