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80500-90-9 | 3,4-Dihydro-4,4,6-trimethyl-1-(pyridin-2-yl)-2(1H)-pyrimidinethione
CAS No: 80500-90-9 Catalog No: AG00GPLJ MDL No:
Product Description
Catalog Number:
AG00GPLJ
Chemical Name:
3,4-Dihydro-4,4,6-trimethyl-1-(pyridin-2-yl)-2(1H)-pyrimidinethione
CAS Number:
80500-90-9
IUPAC Name:
4,6,6-trimethyl-3-pyridin-2-yl-1H-pyrimidine-2-thione
InChI:
InChI=1S/C12H15N3S/c1-9-8-12(2,3)14-11(16)15(9)10-6-4-5-7-13-10/h4-8H,1-3H3,(H,14,16)
InChI Key:
JBUBLUPHTICYAF-UHFFFAOYSA-N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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