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29337-40-4 | 4(1H)-Pyrimidinone, 2,3-dihydro-3,6-dimethyl-2-thioxo-
CAS No: 29337-40-4 Catalog No: AG002Y3V MDL No:
Product Description
Catalog Number:
AG002Y3V
Chemical Name:
4(1H)-Pyrimidinone, 2,3-dihydro-3,6-dimethyl-2-thioxo-
CAS Number:
29337-40-4
Molecular Formula:
C6H8N2OS
Molecular Weight:
156.2055
IUPAC Name:
3,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C6H8N2OS/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10)
InChI Key:
WKGQCEADQVWHBK-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n(c(=S)[nH]1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.203g/mol
Monoisotopic Mass:
156.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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