6-ethyl-3-methyl-1H-quinoline-2-thione

C12H13NS — CID 18524198

IUPAC6-ethyl-3-methyl-1H-quinoline-2-thione
SMILESCCc1ccc2[nH]c(=S)c(C)cc2c1
InChIInChI=1S/C12H13NS/c1-3-9-4-5-11-10(7-9)6-8(2)12(14)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyNSOIPTWILUENHJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.77
Rot. Bonds1

About 6-ethyl-3-methyl-1H-quinoline-2-thione

6-ethyl-3-methyl-1H-quinoline-2-thione (PubChem CID 18524198) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1H-quinoline-2-thione
PubChem CID18524198
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name6-ethyl-3-methyl-1H-quinoline-2-thione
SMILESCCc1ccc2[nH]c(=S)c(C)cc2c1
InChIInChI=1S/C12H13NS/c1-3-9-4-5-11-10(7-9)6-8(2)12(14)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyNSOIPTWILUENHJ-UHFFFAOYSA-N
XLogP3.77
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5-ethyl-1H-indol-2-yl)methanol
CID 21405642
2-amino-2-(5-ethyl-1H-indol-2-yl)ethanol
CID 83859615
2-ethyl-5-propyl-1H-indole
CID 86257176
(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane
CID 173310644
2-(5-ethyl-1H-indol-2-yl)propanoic acid
CID 83859523
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
CID 3169171
2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide
CID 159351234
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
3-ethyl-1H-quinoline-2-thione
CID 1445305
6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one
CID 116997581
6-ethyl-2-methyl-3H-benzo[f]benzimidazole
CID 90182012
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1H-quinoline-2-thione?
The IUPAC name of 6-ethyl-3-methyl-1H-quinoline-2-thione (CID 18524198) is 6-ethyl-3-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 6-ethyl-3-methyl-1H-quinoline-2-thione?
The canonical SMILES for 6-ethyl-3-methyl-1H-quinoline-2-thione is CCc1ccc2[nH]c(=S)c(C)cc2c1.
What is the InChIKey of 6-ethyl-3-methyl-1H-quinoline-2-thione?
The InChIKey is NSOIPTWILUENHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-3-9-4-5-11-10(7-9)6-8(2)12(14)13-11/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-ethyl-3-methyl-1H-quinoline-2-thione?
6-ethyl-3-methyl-1H-quinoline-2-thione has a molecular weight of 203.31 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 18524198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).