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145783-12-6 | 4(3H)-Pyrimidinone, 6-hydroxy-2-(propylthio)-
CAS No: 145783-12-6 Catalog No: AG001DEG MDL No:
Product Description
Catalog Number:
AG001DEG
Chemical Name:
4(3H)-Pyrimidinone, 6-hydroxy-2-(propylthio)-
CAS Number:
145783-12-6
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
IUPAC Name:
4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChI Key:
JNDANYQUROGPBP-UHFFFAOYSA-N
SMILES:
CCCSc1nc(O)cc(=O)[nH]1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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