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

C10H8ClNS — CID 3000750

IUPAC7-chloro-4-methyl-1H-quinoline-2-thione
SMILESCc1cc(=S)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,1H3,(H,12,13)
InChIKeyLSEISBSNELHXAE-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.86
Rot. Bonds

About 7-chloro-4-methyl-1H-quinoline-2-thione

7-chloro-4-methyl-1H-quinoline-2-thione (PubChem CID 3000750) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 7-chloro-4-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-chloro-4-methyl-1H-quinoline-2-thione
PubChem CID3000750
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name7-chloro-4-methyl-1H-quinoline-2-thione
SMILESCc1cc(=S)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,1H3,(H,12,13)
InChIKeyLSEISBSNELHXAE-UHFFFAOYSA-N
XLogP3.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.86
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 7-chloro-4-methyl-1H-quinoline-2-thione?
The IUPAC name of 7-chloro-4-methyl-1H-quinoline-2-thione (CID 3000750) is 7-chloro-4-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 7-chloro-4-methyl-1H-quinoline-2-thione?
The canonical SMILES for 7-chloro-4-methyl-1H-quinoline-2-thione is Cc1cc(=S)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methyl-1H-quinoline-2-thione?
The InChIKey is LSEISBSNELHXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,1H3,(H,12,13).
What are the key properties of 7-chloro-4-methyl-1H-quinoline-2-thione?
7-chloro-4-methyl-1H-quinoline-2-thione has a molecular weight of 209.70 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 3000750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).