5-(cyclopenten-1-yl)pentane-1-thiol

C10H18S — CID 163859589

IUPAC5-(cyclopenten-1-yl)pentane-1-thiol
SMILESSCCCCCC1=CCCC1
InChIInChI=1S/C10H18S/c11-9-5-1-2-6-10-7-3-4-8-10/h7,11H,1-6,8-9H2
InChIKeyPBHSDVLQJUEUBP-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.59
Rot. Bonds5

About 5-(cyclopenten-1-yl)pentane-1-thiol

5-(cyclopenten-1-yl)pentane-1-thiol (PubChem CID 163859589) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 5-(cyclopenten-1-yl)pentane-1-thiol.

Molecular Properties

Compound Name5-(cyclopenten-1-yl)pentane-1-thiol
PubChem CID163859589
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name5-(cyclopenten-1-yl)pentane-1-thiol
SMILESSCCCCCC1=CCCC1
InChIInChI=1S/C10H18S/c11-9-5-1-2-6-10-7-3-4-8-10/h7,11H,1-6,8-9H2
InChIKeyPBHSDVLQJUEUBP-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenten-1-yl)pentane-1-thiol?
The IUPAC name of 5-(cyclopenten-1-yl)pentane-1-thiol (CID 163859589) is 5-(cyclopenten-1-yl)pentane-1-thiol.
What is the SMILES notation for 5-(cyclopenten-1-yl)pentane-1-thiol?
The canonical SMILES for 5-(cyclopenten-1-yl)pentane-1-thiol is SCCCCCC1=CCCC1.
What is the InChIKey of 5-(cyclopenten-1-yl)pentane-1-thiol?
The InChIKey is PBHSDVLQJUEUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c11-9-5-1-2-6-10-7-3-4-8-10/h7,11H,1-6,8-9H2.
What are the key properties of 5-(cyclopenten-1-yl)pentane-1-thiol?
5-(cyclopenten-1-yl)pentane-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenten-1-yl)pentane-1-thiol is sourced from PubChem (CID 163859589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).