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88037-20-1 | 4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)-
CAS No: 88037-20-1 Catalog No: AG004J76 MDL No:
Product Description
Catalog Number:
AG004J76
Chemical Name:
4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)-
CAS Number:
88037-20-1
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
4-methyl-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H8N2OS/c1-3-4-12-8-9-6(2)5-7(11)10-8/h1,5H,4H2,2H3,(H,9,10,11)
InChI Key:
UERWZDHZLXJZAT-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)nc([nH]1)SCC#C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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