4-methyl-2-(methylsulfanylmethyl)quinoline

C12H13NS — CID 144941191

IUPAC4-methyl-2-(methylsulfanylmethyl)quinoline
SMILESCSCc1cc(C)c2ccccc2n1
InChIInChI=1S/C12H13NS/c1-9-7-10(8-14-2)13-12-6-4-3-5-11(9)12/h3-7H,8H2,1-2H3
InChIKeyFLUVWXQKKYQBGT-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.41
Rot. Bonds2

About 4-methyl-2-(methylsulfanylmethyl)quinoline

4-methyl-2-(methylsulfanylmethyl)quinoline (PubChem CID 144941191) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-methyl-2-(methylsulfanylmethyl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(methylsulfanylmethyl)quinoline
PubChem CID144941191
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4-methyl-2-(methylsulfanylmethyl)quinoline
SMILESCSCc1cc(C)c2ccccc2n1
InChIInChI=1S/C12H13NS/c1-9-7-10(8-14-2)13-12-6-4-3-5-11(9)12/h3-7H,8H2,1-2H3
InChIKeyFLUVWXQKKYQBGT-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2,2,2-tribromoethyl)quinoline
CID 54392540
2-(2-bromoethyl)-4-methylquinoline
CID 174495711
2-[(4-methylquinolin-2-yl)methylsulfanyl]benzoic acid
CID 26608952
N-methyl-2-(4-methylquinolin-2-yl)ethanamine
CID 84619682
2-hexyl-4-methylquinoline
CID 504074
4-methyl-2-(4,4,4-trifluorobutyl)quinoline
CID 164668878
4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
4-methylquinoline-2-carbaldehyde
CID 12735795
ethane;2-ethoxy-4-methylquinoline
CID 142037221
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2367855

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylsulfanylmethyl)quinoline?
The IUPAC name of 4-methyl-2-(methylsulfanylmethyl)quinoline (CID 144941191) is 4-methyl-2-(methylsulfanylmethyl)quinoline.
What is the SMILES notation for 4-methyl-2-(methylsulfanylmethyl)quinoline?
The canonical SMILES for 4-methyl-2-(methylsulfanylmethyl)quinoline is CSCc1cc(C)c2ccccc2n1.
What is the InChIKey of 4-methyl-2-(methylsulfanylmethyl)quinoline?
The InChIKey is FLUVWXQKKYQBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-7-10(8-14-2)13-12-6-4-3-5-11(9)12/h3-7H,8H2,1-2H3.
What are the key properties of 4-methyl-2-(methylsulfanylmethyl)quinoline?
4-methyl-2-(methylsulfanylmethyl)quinoline has a molecular weight of 203.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylsulfanylmethyl)quinoline is sourced from PubChem (CID 144941191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).