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89079-60-7 | 5-Pyrimidinecarbonitrile, 1,4-dihydro-4-methyl-2-(methylthio)-
CAS No: 89079-60-7 Catalog No: AG0040XH MDL No:
Product Description
Catalog Number:
AG0040XH
Chemical Name:
5-Pyrimidinecarbonitrile, 1,4-dihydro-4-methyl-2-(methylthio)-
CAS Number:
89079-60-7
Molecular Formula:
C7H9N3S
Molecular Weight:
167.2315
IUPAC Name:
4-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H9N3S/c1-5-6(3-8)4-9-7(10-5)11-2/h4-5H,1-2H3,(H,9,10)
InChI Key:
CXWFXTTWVNURJU-UHFFFAOYSA-N
SMILES:
CSC1=NC(C(=CN1)C#N)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.23g/mol
Monoisotopic Mass:
167.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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