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37039-71-7 | 6-Pyridin-4-yl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
CAS No: 37039-71-7 Catalog No: AG016J5H MDL No:MFCD14703411
Product Description
Catalog Number:
AG016J5H
Chemical Name:
6-Pyridin-4-yl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
CAS Number:
37039-71-7
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
MDL Number:
MFCD14703411
IUPAC Name:
6-pyridin-4-yl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C9H7N3OS/c13-8-5-7(11-9(14)12-8)6-1-3-10-4-2-6/h1-5H,(H2,11,12,13,14)
InChI Key:
RQTQZVFHWWTISL-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c(=S)[nH]1)c1ccncc1
Properties
Complexity:
294
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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