1-methylquinoline-5-thione

C10H9NS — CID 23422227

IUPAC1-methylquinoline-5-thione
SMILESCn1cccc2c(=S)cccc1-2
InChIInChI=1S/C10H9NS/c1-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,1H3
InChIKeyYRKPYPYAOIVLAX-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.86
Rot. Bonds

About 1-methylquinoline-5-thione

1-methylquinoline-5-thione (PubChem CID 23422227) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-methylquinoline-5-thione.

Molecular Properties

Compound Name1-methylquinoline-5-thione
PubChem CID23422227
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name1-methylquinoline-5-thione
SMILESCn1cccc2c(=S)cccc1-2
InChIInChI=1S/C10H9NS/c1-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,1H3
InChIKeyYRKPYPYAOIVLAX-UHFFFAOYSA-N
XLogP2.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methylquinoline-5-thione?
The IUPAC name of 1-methylquinoline-5-thione (CID 23422227) is 1-methylquinoline-5-thione.
What is the SMILES notation for 1-methylquinoline-5-thione?
The canonical SMILES for 1-methylquinoline-5-thione is Cn1cccc2c(=S)cccc1-2.
What is the InChIKey of 1-methylquinoline-5-thione?
The InChIKey is YRKPYPYAOIVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,1H3.
What are the key properties of 1-methylquinoline-5-thione?
1-methylquinoline-5-thione has a molecular weight of 175.26 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinoline-5-thione is sourced from PubChem (CID 23422227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).