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770-30-9 | 4-Amino-2-(methylthio)pyrimidine-5-carbonitrile
CAS No: 770-30-9 Catalog No: AG003KNY MDL No:MFCD00023237
Product Description
Catalog Number:
AG003KNY
Chemical Name:
4-Amino-2-(methylthio)pyrimidine-5-carbonitrile
CAS Number:
770-30-9
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
MDL Number:
MFCD00023237
IUPAC Name:
4-amino-2-methylsulfanylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H6N4S/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10)
InChI Key:
VYDHBDPZNLVELI-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)N)C#N
NSC Number:
165363
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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