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102613-14-9 | 4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-5-(2-propen-1-yl)-2-thioxo-
CAS No: 102613-14-9 Catalog No: AG0007XA MDL No:
Product Description
Catalog Number:
AG0007XA
Chemical Name:
4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-5-(2-propen-1-yl)-2-thioxo-
CAS Number:
102613-14-9
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
IUPAC Name:
6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C8H10N2OS/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3H,1,4H2,2H3,(H2,9,10,11,12)
InChI Key:
IBWZVOPQOIWLAD-UHFFFAOYSA-N
SMILES:
C=CCc1c(C)[nH]c(=S)[nH]c1=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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