5-cyclopentylpenta-2,4-diyne-1-thiol

C10H12S — CID 169079490

IUPAC5-cyclopentylpenta-2,4-diyne-1-thiol
SMILESSCC#CC#CC1CCCC1
InChIInChI=1S/C10H12S/c11-9-5-1-2-6-10-7-3-4-8-10/h10-11H,3-4,7-9H2
InChIKeyVFYNMHFQYJCCOQ-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.11
Rot. Bonds

About 5-cyclopentylpenta-2,4-diyne-1-thiol

5-cyclopentylpenta-2,4-diyne-1-thiol (PubChem CID 169079490) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 5-cyclopentylpenta-2,4-diyne-1-thiol.

Molecular Properties

Compound Name5-cyclopentylpenta-2,4-diyne-1-thiol
PubChem CID169079490
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name5-cyclopentylpenta-2,4-diyne-1-thiol
SMILESSCC#CC#CC1CCCC1
InChIInChI=1S/C10H12S/c11-9-5-1-2-6-10-7-3-4-8-10/h10-11H,3-4,7-9H2
InChIKeyVFYNMHFQYJCCOQ-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylpenta-2,4-diyne-1-thiol?
The IUPAC name of 5-cyclopentylpenta-2,4-diyne-1-thiol (CID 169079490) is 5-cyclopentylpenta-2,4-diyne-1-thiol.
What is the SMILES notation for 5-cyclopentylpenta-2,4-diyne-1-thiol?
The canonical SMILES for 5-cyclopentylpenta-2,4-diyne-1-thiol is SCC#CC#CC1CCCC1.
What is the InChIKey of 5-cyclopentylpenta-2,4-diyne-1-thiol?
The InChIKey is VFYNMHFQYJCCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c11-9-5-1-2-6-10-7-3-4-8-10/h10-11H,3-4,7-9H2.
What are the key properties of 5-cyclopentylpenta-2,4-diyne-1-thiol?
5-cyclopentylpenta-2,4-diyne-1-thiol has a molecular weight of 164.27 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylpenta-2,4-diyne-1-thiol is sourced from PubChem (CID 169079490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).