6-thiophen-2-ylsulfanylhexan-1-ol

C10H16OS2 — CID 22563648

IUPAC6-thiophen-2-ylsulfanylhexan-1-ol
SMILESOCCCCCCSc1cccs1
InChIInChI=1S/C10H16OS2/c11-7-3-1-2-4-8-12-10-6-5-9-13-10/h5-6,9,11H,1-4,7-8H2
InChIKeyKRPSLKRJSVMMLJ-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.39
Rot. Bonds7

About 6-thiophen-2-ylsulfanylhexan-1-ol

6-thiophen-2-ylsulfanylhexan-1-ol (PubChem CID 22563648) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 6-thiophen-2-ylsulfanylhexan-1-ol.

Molecular Properties

Compound Name6-thiophen-2-ylsulfanylhexan-1-ol
PubChem CID22563648
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name6-thiophen-2-ylsulfanylhexan-1-ol
SMILESOCCCCCCSc1cccs1
InChIInChI=1S/C10H16OS2/c11-7-3-1-2-4-8-12-10-6-5-9-13-10/h5-6,9,11H,1-4,7-8H2
InChIKeyKRPSLKRJSVMMLJ-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.39
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 6-thiophen-2-ylsulfanylhexan-1-ol?
The IUPAC name of 6-thiophen-2-ylsulfanylhexan-1-ol (CID 22563648) is 6-thiophen-2-ylsulfanylhexan-1-ol.
What is the SMILES notation for 6-thiophen-2-ylsulfanylhexan-1-ol?
The canonical SMILES for 6-thiophen-2-ylsulfanylhexan-1-ol is OCCCCCCSc1cccs1.
What is the InChIKey of 6-thiophen-2-ylsulfanylhexan-1-ol?
The InChIKey is KRPSLKRJSVMMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS2/c11-7-3-1-2-4-8-12-10-6-5-9-13-10/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 6-thiophen-2-ylsulfanylhexan-1-ol?
6-thiophen-2-ylsulfanylhexan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylsulfanylhexan-1-ol is sourced from PubChem (CID 22563648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).