3-methyl-8-methylsulfanylquinoline

C11H11NS — CID 119092882

IUPAC3-methyl-8-methylsulfanylquinoline
SMILESCSc1cccc2cc(C)cnc12
InChIInChI=1S/C11H11NS/c1-8-6-9-4-3-5-10(13-2)11(9)12-7-8/h3-7H,1-2H3
InChIKeyNMFQSZTWHJIWAR-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.27
Rot. Bonds1

About 3-methyl-8-methylsulfanylquinoline

3-methyl-8-methylsulfanylquinoline (PubChem CID 119092882) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-methyl-8-methylsulfanylquinoline.

Molecular Properties

Compound Name3-methyl-8-methylsulfanylquinoline
PubChem CID119092882
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name3-methyl-8-methylsulfanylquinoline
SMILESCSc1cccc2cc(C)cnc12
InChIInChI=1S/C11H11NS/c1-8-6-9-4-3-5-10(13-2)11(9)12-7-8/h3-7H,1-2H3
InChIKeyNMFQSZTWHJIWAR-UHFFFAOYSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methylquinolin-8-ol
CID 143422090
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
3,8-dimethyl-1,10-phenanthroline
CID 159392628
4-methylsulfanylphenanthridine
CID 56651512
2,5-dimethyl-3-methylsulfanylpyridine
CID 59938108
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
2-fluoro-5-methyl-3-methylsulfanylpyridine
CID 164895334
6-fluoro-8-methylsulfanylquinoline
CID 170900378
7-iodo-3-methylbenzo[h]quinoline
CID 142438987
ethane;3-methyl-1,8-naphthyridine
CID 90816561
3,8-dimethyl-1,7-naphthyridine;ethane
CID 142388787
3-(4-methylphenyl)quinolin-8-ol
CID 134530659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-methylsulfanylquinoline?
The IUPAC name of 3-methyl-8-methylsulfanylquinoline (CID 119092882) is 3-methyl-8-methylsulfanylquinoline.
What is the SMILES notation for 3-methyl-8-methylsulfanylquinoline?
The canonical SMILES for 3-methyl-8-methylsulfanylquinoline is CSc1cccc2cc(C)cnc12.
What is the InChIKey of 3-methyl-8-methylsulfanylquinoline?
The InChIKey is NMFQSZTWHJIWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-8-6-9-4-3-5-10(13-2)11(9)12-7-8/h3-7H,1-2H3.
What are the key properties of 3-methyl-8-methylsulfanylquinoline?
3-methyl-8-methylsulfanylquinoline has a molecular weight of 189.28 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-methylsulfanylquinoline is sourced from PubChem (CID 119092882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).