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74579-34-3 | Quinoline, 3,4-bis(methylthio)-
CAS No: 74579-34-3 Catalog No: AG005W4Q MDL No:
Product Description
Catalog Number:
AG005W4Q
Chemical Name:
Quinoline, 3,4-bis(methylthio)-
CAS Number:
74579-34-3
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
IUPAC Name:
3,4-bis(methylsulfanyl)quinoline
InChI:
InChI=1S/C11H11NS2/c1-13-10-7-12-9-6-4-3-5-8(9)11(10)14-2/h3-7H,1-2H3
InChI Key:
JBKPABSMMKMFKQ-UHFFFAOYSA-N
SMILES:
CSc1c(SC)cnc2c1cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Is propolis safe as an alternative medicine? | Journal of pharmacy & bioallied sciences 20110101 |
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