6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol

C9H11NS — CID 139478243

IUPAC6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol
SMILESCC1Cc2cnccc2C1S
InChIInChI=1S/C9H11NS/c1-6-4-7-5-10-3-2-8(7)9(6)11/h2-3,5-6,9,11H,4H2,1H3
InChIKeyZQCKVMIYFUNNMJ-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.24
Rot. Bonds

About 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol

6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol (PubChem CID 139478243) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol.

Molecular Properties

Compound Name6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol
PubChem CID139478243
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol
SMILESCC1Cc2cnccc2C1S
InChIInChI=1S/C9H11NS/c1-6-4-7-5-10-3-2-8(7)9(6)11/h2-3,5-6,9,11H,4H2,1H3
InChIKeyZQCKVMIYFUNNMJ-UHFFFAOYSA-N
XLogP2.24
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.24
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-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol?
The IUPAC name of 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol (CID 139478243) is 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol.
What is the SMILES notation for 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol?
The canonical SMILES for 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol is CC1Cc2cnccc2C1S.
What is the InChIKey of 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol?
The InChIKey is ZQCKVMIYFUNNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-6-4-7-5-10-3-2-8(7)9(6)11/h2-3,5-6,9,11H,4H2,1H3.
What are the key properties of 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol?
6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol has a molecular weight of 165.26 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-5-thiol is sourced from PubChem (CID 139478243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).