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88570-33-6 | 4(1H)-Pyrimidinone, 5-methoxy-2-[1-(methylthio)ethyl]-
CAS No: 88570-33-6 Catalog No: AG004BN6 MDL No:
Product Description
Catalog Number:
AG004BN6
Chemical Name:
4(1H)-Pyrimidinone, 5-methoxy-2-[1-(methylthio)ethyl]-
CAS Number:
88570-33-6
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
IUPAC Name:
5-methoxy-2-(1-methylsulfanylethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H12N2O2S/c1-5(13-3)7-9-4-6(12-2)8(11)10-7/h4-5H,1-3H3,(H,9,10,11)
InChI Key:
MHRFIYZFXMNHIW-UHFFFAOYSA-N
SMILES:
CSC(c1[nH]cc(c(=O)n1)OC)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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