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54585-47-6 | 4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 54585-47-6 Catalog No: AG003JBY MDL No:MFCD00186534
Product Description
Catalog Number:
AG003JBY
Chemical Name:
4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
54585-47-6
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD00186534
IUPAC Name:
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
InChI Key:
CZRHEROEPICLRO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[nH]c(=S)c1C#N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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 |
| An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. | Nature chemical biology 20080101 |
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