4-methyl-1H-quinoline-2-thione

C10H9NS — CID 722350

IUPAC4-methyl-1H-quinoline-2-thione
SMILESCc1cc(=S)[nH]c2ccccc12
InChIInChI=1S/C10H9NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
InChIKeyOJOPTXKXKPMMGC-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.21
Rot. Bonds

About 4-methyl-1H-quinoline-2-thione

4-methyl-1H-quinoline-2-thione (PubChem CID 722350) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name4-methyl-1H-quinoline-2-thione
PubChem CID722350
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-methyl-1H-quinoline-2-thione
SMILESCc1cc(=S)[nH]c2ccccc12
InChIInChI=1S/C10H9NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
InChIKeyOJOPTXKXKPMMGC-UHFFFAOYSA-N
XLogP3.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.21
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-methyl-1H-quinoline-2-thione?
The IUPAC name of 4-methyl-1H-quinoline-2-thione (CID 722350) is 4-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 4-methyl-1H-quinoline-2-thione?
The canonical SMILES for 4-methyl-1H-quinoline-2-thione is Cc1cc(=S)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-1H-quinoline-2-thione?
The InChIKey is OJOPTXKXKPMMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-methyl-1H-quinoline-2-thione?
4-methyl-1H-quinoline-2-thione has a molecular weight of 175.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 722350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).