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

C11H11NS — CID 1445305

IUPAC3-ethyl-1H-quinoline-2-thione
SMILESCCc1cc2ccccc2[nH]c1=S
InChIInChI=1S/C11H11NS/c1-2-8-7-9-5-3-4-6-10(9)12-11(8)13/h3-7H,2H2,1H3,(H,12,13)
InChIKeyPFDMSGAMJXISLF-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.46
Rot. Bonds1

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

3-ethyl-1H-quinoline-2-thione (PubChem CID 1445305) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-ethyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name3-ethyl-1H-quinoline-2-thione
PubChem CID1445305
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name3-ethyl-1H-quinoline-2-thione
SMILESCCc1cc2ccccc2[nH]c1=S
InChIInChI=1S/C11H11NS/c1-2-8-7-9-5-3-4-6-10(9)12-11(8)13/h3-7H,2H2,1H3,(H,12,13)
InChIKeyPFDMSGAMJXISLF-UHFFFAOYSA-N
XLogP3.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.46
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

3-amino-1H-quinoline-2-thione
CID 3035978
3-(3-propoxypropyl)-1H-quinolin-2-one
CID 141362914
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
3-(3-ethyl-2-pyridinyl)-1H-quinolin-2-one
CID 139729736
tributyl(1H-indol-2-yl)stannane
CID 15767833
2-methyl-1H-indole;hydrofluoride
CID 163912177

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-quinoline-2-thione?
The IUPAC name of 3-ethyl-1H-quinoline-2-thione (CID 1445305) is 3-ethyl-1H-quinoline-2-thione.
What is the SMILES notation for 3-ethyl-1H-quinoline-2-thione?
The canonical SMILES for 3-ethyl-1H-quinoline-2-thione is CCc1cc2ccccc2[nH]c1=S.
What is the InChIKey of 3-ethyl-1H-quinoline-2-thione?
The InChIKey is PFDMSGAMJXISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-8-7-9-5-3-4-6-10(9)12-11(8)13/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-1H-quinoline-2-thione?
3-ethyl-1H-quinoline-2-thione has a molecular weight of 189.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-quinoline-2-thione is sourced from PubChem (CID 1445305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).