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7367-94-4 | 5-(METHYLTHIO)-PYRIMIDIN-2-AMINE
CAS No: 7367-94-4 Catalog No: AG005BZ9 MDL No:
Product Description
Catalog Number:
AG005BZ9
Chemical Name:
5-(METHYLTHIO)-PYRIMIDIN-2-AMINE
CAS Number:
7367-94-4
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
IUPAC Name:
5-methylsulfanylpyrimidin-2-amine
InChI:
InChI=1S/C5H7N3S/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
InChI Key:
WQBNMWSBCOVADX-UHFFFAOYSA-N
SMILES:
CSc1cnc(nc1)N
Properties
Complexity:
80.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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