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1312095-44-5 | 4-Pyrimidinemethanamine, 2-(methylthio)-
CAS No: 1312095-44-5 Catalog No: AG000VPV MDL No:
Product Description
Catalog Number:
AG000VPV
Chemical Name:
4-Pyrimidinemethanamine, 2-(methylthio)-
CAS Number:
1312095-44-5
Molecular Formula:
C6H9N3S
Molecular Weight:
155.2208
IUPAC Name:
(2-methylsulfanylpyrimidin-4-yl)methanamine
InChI:
InChI=1S/C6H9N3S/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4,7H2,1H3
InChI Key:
JLXFMUSLZWZXGK-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)CN
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.219g/mol
Monoisotopic Mass:
155.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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