4,6,8-trimethyl-1H-quinoline-2-thione

C12H13NS — CID 2442311

IUPAC4,6,8-trimethyl-1H-quinoline-2-thione
SMILESCc1cc(C)c2[nH]c(=S)cc(C)c2c1
InChIInChI=1S/C12H13NS/c1-7-4-9(3)12-10(5-7)8(2)6-11(14)13-12/h4-6H,1-3H3,(H,13,14)
InChIKeyGZLWESBHRVYTQR-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.82
Rot. Bonds

About 4,6,8-trimethyl-1H-quinoline-2-thione

4,6,8-trimethyl-1H-quinoline-2-thione (PubChem CID 2442311) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4,6,8-trimethyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name4,6,8-trimethyl-1H-quinoline-2-thione
PubChem CID2442311
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4,6,8-trimethyl-1H-quinoline-2-thione
SMILESCc1cc(C)c2[nH]c(=S)cc(C)c2c1
InChIInChI=1S/C12H13NS/c1-7-4-9(3)12-10(5-7)8(2)6-11(14)13-12/h4-6H,1-3H3,(H,13,14)
InChIKeyGZLWESBHRVYTQR-UHFFFAOYSA-N
XLogP3.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-1H-quinoline-2-thione?
The IUPAC name of 4,6,8-trimethyl-1H-quinoline-2-thione (CID 2442311) is 4,6,8-trimethyl-1H-quinoline-2-thione.
What is the SMILES notation for 4,6,8-trimethyl-1H-quinoline-2-thione?
The canonical SMILES for 4,6,8-trimethyl-1H-quinoline-2-thione is Cc1cc(C)c2[nH]c(=S)cc(C)c2c1.
What is the InChIKey of 4,6,8-trimethyl-1H-quinoline-2-thione?
The InChIKey is GZLWESBHRVYTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-7-4-9(3)12-10(5-7)8(2)6-11(14)13-12/h4-6H,1-3H3,(H,13,14).
What are the key properties of 4,6,8-trimethyl-1H-quinoline-2-thione?
4,6,8-trimethyl-1H-quinoline-2-thione has a molecular weight of 203.31 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-1H-quinoline-2-thione is sourced from PubChem (CID 2442311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).