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Home > Pyridines > 101714-48-1
101714-48-1 | 6-PYRIDIN-3-YL-2-THIOXO-2,3-DIHYDROPYRIMIDIN-4(1(H))-ONE
CAS No: 101714-48-1 Catalog No: AG01AQ36 MDL No:MFCD01942634
Product Description
Catalog Number:
AG01AQ36
Chemical Name:
6-PYRIDIN-3-YL-2-THIOXO-2,3-DIHYDROPYRIMIDIN-4(1(H))-ONE
CAS Number:
101714-48-1
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
MDL Number:
MFCD01942634
IUPAC Name:
6-pyridin-3-yl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C9H7N3OS/c13-8-4-7(11-9(14)12-8)6-2-1-3-10-5-6/h1-5H,(H2,11,12,13,14)
InChI Key:
NYXRBRUQEKMUNM-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c(=S)[nH]1)c1cccnc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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