Home Nitriles 6-methyl-2-(methylsulfanyl)pyrimidine-4-carbonitrile

6-methyl-2-(methylsulfanyl)pyrimidine-4-carbonitrile

CAS No.:
65735-62-8
Catalog Number:
AG01EJRI
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
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Product Description
Catalog Number:
AG01EJRI
Chemical Name:
6-methyl-2-(methylsulfanyl)pyrimidine-4-carbonitrile
CAS Number:
65735-62-8
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
MDL Number:
MFCD25965878
IUPAC Name:
6-methyl-2-methylsulfanylpyrimidine-4-carbonitrile
InChI:
InChI=1S/C7H7N3S/c1-5-3-6(4-8)10-7(9-5)11-2/h3H,1-2H3
InChI Key:
RCYXVIQAYWNBBF-UHFFFAOYSA-N
SMILES:
CSc1nc(C)cc(n1)C#N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties