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88594-65-4 | Pyrimidine, 2-[(4-pyridinylmethyl)thio]-
CAS No: 88594-65-4 Catalog No: AG004CW6 MDL No:
Product Description
Catalog Number:
AG004CW6
Chemical Name:
Pyrimidine, 2-[(4-pyridinylmethyl)thio]-
CAS Number:
88594-65-4
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
IUPAC Name:
2-(pyridin-4-ylmethylsulfanyl)pyrimidine
InChI:
InChI=1S/C10H9N3S/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-7H,8H2
InChI Key:
WFFIXZNLHHUGAV-UHFFFAOYSA-N
SMILES:
c1cnc(nc1)SCc1ccncc1
Properties
Complexity:
153
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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