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83782-80-3 | Pyrimidine, 2-[(2-pyridinylmethyl)thio]-
CAS No: 83782-80-3 Catalog No: AG004X0B MDL No:
Product Description
Catalog Number:
AG004X0B
Chemical Name:
Pyrimidine, 2-[(2-pyridinylmethyl)thio]-
CAS Number:
83782-80-3
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
IUPAC Name:
2-(pyridin-2-ylmethylsulfanyl)pyrimidine
InChI:
InChI=1S/C10H9N3S/c1-2-5-11-9(4-1)8-14-10-12-6-3-7-13-10/h1-7H,8H2
InChI Key:
OARMSWNYNKYQCE-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CSc1ncccn1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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