3-ethyl-7-methyl-1H-quinoline-2-thione

C12H13NS — CID 1445317

IUPAC3-ethyl-7-methyl-1H-quinoline-2-thione
SMILESCCc1cc2ccc(C)cc2[nH]c1=S
InChIInChI=1S/C12H13NS/c1-3-9-7-10-5-4-8(2)6-11(10)13-12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyGHZRCWLZLWOGSD-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.77
Rot. Bonds1

About 3-ethyl-7-methyl-1H-quinoline-2-thione

3-ethyl-7-methyl-1H-quinoline-2-thione (PubChem CID 1445317) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name3-ethyl-7-methyl-1H-quinoline-2-thione
PubChem CID1445317
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name3-ethyl-7-methyl-1H-quinoline-2-thione
SMILESCCc1cc2ccc(C)cc2[nH]c1=S
InChIInChI=1S/C12H13NS/c1-3-9-7-10-5-4-8(2)6-11(10)13-12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyGHZRCWLZLWOGSD-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'}

Analyze 3-ethyl-7-methyl-1H-quinoline-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Methylphenyl)thiourea
CID 2787703
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-(3-Methylphenyl)aniline
CID 14569
2(1H)-Quinolinethione
CID 1800393
4-Quinolinethiol, 2-methyl-
CID 940263
Thiourea, (3-methylphenyl)-
CID 701727
Thiobenzanilide
CID 668263
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
2-Indolinethione
CID 3032310
4,7-Dimethylquinoline-2-thiol
CID 3404081
4-Methylquinoline-2-thiol
CID 722350
1-Methyl-2(1H)-quinolinethione
CID 741419

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1H-quinoline-2-thione?
The IUPAC name of 3-ethyl-7-methyl-1H-quinoline-2-thione (CID 1445317) is 3-ethyl-7-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 3-ethyl-7-methyl-1H-quinoline-2-thione?
The canonical SMILES for 3-ethyl-7-methyl-1H-quinoline-2-thione is CCc1cc2ccc(C)cc2[nH]c1=S.
What is the InChIKey of 3-ethyl-7-methyl-1H-quinoline-2-thione?
The InChIKey is GHZRCWLZLWOGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-3-9-7-10-5-4-8(2)6-11(10)13-12(9)14/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-7-methyl-1H-quinoline-2-thione?
3-ethyl-7-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 3-ethyl-7-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 1445317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).