4,6-dimethyl-2-methylsulfanylquinoline

C12H13NS — CID 11499416

IUPAC4,6-dimethyl-2-methylsulfanylquinoline
SMILESCSc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C12H13NS/c1-8-4-5-11-10(6-8)9(2)7-12(13-11)14-3/h4-7H,1-3H3
InChIKeyAQNBJVWPGQPJIH-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.57
Rot. Bonds1

About 4,6-dimethyl-2-methylsulfanylquinoline

4,6-dimethyl-2-methylsulfanylquinoline (PubChem CID 11499416) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-methylsulfanylquinoline.

Molecular Properties

Compound Name4,6-dimethyl-2-methylsulfanylquinoline
PubChem CID11499416
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4,6-dimethyl-2-methylsulfanylquinoline
SMILESCSc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C12H13NS/c1-8-4-5-11-10(6-8)9(2)7-12(13-11)14-3/h4-7H,1-3H3
InChIKeyAQNBJVWPGQPJIH-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dimethylquinolin-2-yl)sulfanylacetonitrile
CID 43840430
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
CID 3038833
N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
CID 139065143
2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 146044569
6-methyl-2,3-bis(methylsulfanyl)quinoxaline
CID 139445231
9-chloro-2,3,7-trimethylacridine
CID 19749386
2-(6-fluoro-4-methylquinolin-2-yl)sulfanylacetonitrile
CID 43840437
(E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoic acid
CID 68678716
3-(4,6-dimethylquinolin-2-yl)prop-2-enoic acid
CID 68678717
2,9-dimethylbenzo[c]cinnoline
CID 14472808
4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol
CID 135801883

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-methylsulfanylquinoline?
The IUPAC name of 4,6-dimethyl-2-methylsulfanylquinoline (CID 11499416) is 4,6-dimethyl-2-methylsulfanylquinoline.
What is the SMILES notation for 4,6-dimethyl-2-methylsulfanylquinoline?
The canonical SMILES for 4,6-dimethyl-2-methylsulfanylquinoline is CSc1cc(C)c2cc(C)ccc2n1.
What is the InChIKey of 4,6-dimethyl-2-methylsulfanylquinoline?
The InChIKey is AQNBJVWPGQPJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8-4-5-11-10(6-8)9(2)7-12(13-11)14-3/h4-7H,1-3H3.
What are the key properties of 4,6-dimethyl-2-methylsulfanylquinoline?
4,6-dimethyl-2-methylsulfanylquinoline has a molecular weight of 203.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-methylsulfanylquinoline is sourced from PubChem (CID 11499416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).