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88037-18-7 | 4(1H)-Pyrimidinone, 2-[(2-chloro-2-propenyl)thio]-6-methyl-
CAS No: 88037-18-7 Catalog No: AG004J77 MDL No:
Product Description
Catalog Number:
AG004J77
Chemical Name:
4(1H)-Pyrimidinone, 2-[(2-chloro-2-propenyl)thio]-6-methyl-
CAS Number:
88037-18-7
Molecular Formula:
C8H9ClN2OS
Molecular Weight:
216.6879
IUPAC Name:
2-(2-chloroprop-2-enylsulfanyl)-4-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H9ClN2OS/c1-5(9)4-13-8-10-6(2)3-7(12)11-8/h3H,1,4H2,2H3,(H,10,11,12)
InChI Key:
KTTLRJWPWWCAOQ-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)nc([nH]1)SCC(=C)Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.683g/mol
Monoisotopic Mass:
216.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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