5-thiophen-2-ylsulfanylpentan-1-ol

C9H14OS2 — CID 22563649

IUPAC5-thiophen-2-ylsulfanylpentan-1-ol
SMILESOCCCCCSc1cccs1
InChIInChI=1S/C9H14OS2/c10-6-2-1-3-7-11-9-5-4-8-12-9/h4-5,8,10H,1-3,6-7H2
InChIKeyUFVGJXFCPMOIAF-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.00
Rot. Bonds6

About 5-thiophen-2-ylsulfanylpentan-1-ol

5-thiophen-2-ylsulfanylpentan-1-ol (PubChem CID 22563649) has the molecular formula C9H14OS2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-thiophen-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name5-thiophen-2-ylsulfanylpentan-1-ol
PubChem CID22563649
Molecular FormulaC9H14OS2
Molecular Weight202.34 g/mol
Exact Mass202.05
IUPAC Name5-thiophen-2-ylsulfanylpentan-1-ol
SMILESOCCCCCSc1cccs1
InChIInChI=1S/C9H14OS2/c10-6-2-1-3-7-11-9-5-4-8-12-9/h4-5,8,10H,1-3,6-7H2
InChIKeyUFVGJXFCPMOIAF-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylsulfanylpentan-1-ol?
The IUPAC name of 5-thiophen-2-ylsulfanylpentan-1-ol (CID 22563649) is 5-thiophen-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 5-thiophen-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 5-thiophen-2-ylsulfanylpentan-1-ol is OCCCCCSc1cccs1.
What is the InChIKey of 5-thiophen-2-ylsulfanylpentan-1-ol?
The InChIKey is UFVGJXFCPMOIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS2/c10-6-2-1-3-7-11-9-5-4-8-12-9/h4-5,8,10H,1-3,6-7H2.
What are the key properties of 5-thiophen-2-ylsulfanylpentan-1-ol?
5-thiophen-2-ylsulfanylpentan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 22563649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).