6-methylquinoline-8-thiol

C10H9NS — CID 13008156

IUPAC6-methylquinoline-8-thiol
SMILESCc1cc(S)c2ncccc2c1
InChIInChI=1S/C10H9NS/c1-7-5-8-3-2-4-11-10(8)9(12)6-7/h2-6,12H,1H3
InChIKeyIQQAHBLSCRCHCB-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.83
Rot. Bonds

About 6-methylquinoline-8-thiol

6-methylquinoline-8-thiol (PubChem CID 13008156) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 6-methylquinoline-8-thiol.

Molecular Properties

Compound Name6-methylquinoline-8-thiol
PubChem CID13008156
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name6-methylquinoline-8-thiol
SMILESCc1cc(S)c2ncccc2c1
InChIInChI=1S/C10H9NS/c1-7-5-8-3-2-4-11-10(8)9(12)6-7/h2-6,12H,1H3
InChIKeyIQQAHBLSCRCHCB-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylquinoline-8-thiol?
The IUPAC name of 6-methylquinoline-8-thiol (CID 13008156) is 6-methylquinoline-8-thiol.
What is the SMILES notation for 6-methylquinoline-8-thiol?
The canonical SMILES for 6-methylquinoline-8-thiol is Cc1cc(S)c2ncccc2c1.
What is the InChIKey of 6-methylquinoline-8-thiol?
The InChIKey is IQQAHBLSCRCHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-7-5-8-3-2-4-11-10(8)9(12)6-7/h2-6,12H,1H3.
What are the key properties of 6-methylquinoline-8-thiol?
6-methylquinoline-8-thiol has a molecular weight of 175.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinoline-8-thiol is sourced from PubChem (CID 13008156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).