5-(oxetan-3-yloxy)pentane-1-thiol

C8H16O2S — CID 102608739

IUPAC5-(oxetan-3-yloxy)pentane-1-thiol
SMILESSCCCCCOC1COC1
InChIInChI=1S/C8H16O2S/c11-5-3-1-2-4-10-8-6-9-7-8/h8,11H,1-7H2
InChIKeyNATPKPLQGAHLRG-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.50
Rot. Bonds6

About 5-(oxetan-3-yloxy)pentane-1-thiol

5-(oxetan-3-yloxy)pentane-1-thiol (PubChem CID 102608739) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 5-(oxetan-3-yloxy)pentane-1-thiol.

Molecular Properties

Compound Name5-(oxetan-3-yloxy)pentane-1-thiol
PubChem CID102608739
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name5-(oxetan-3-yloxy)pentane-1-thiol
SMILESSCCCCCOC1COC1
InChIInChI=1S/C8H16O2S/c11-5-3-1-2-4-10-8-6-9-7-8/h8,11H,1-7H2
InChIKeyNATPKPLQGAHLRG-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(oxetan-3-yloxy)pentane-1-sulfonamide
CID 102608527
5-(oxetan-3-yloxy)pentanehydrazide
CID 102608461
3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol
CID 163962789
7-sulfanyloxyheptane-1-thiol
CID 141117281
9-(3-methoxycyclohexyl)oxynonane-1-thiol
CID 105344459
2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
CID 102607610
3-[[6-(3-sulfanylpropoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]propane-1-thiol
CID 123784854
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
3-pentoxyoxane
CID 54336380
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yloxy)pentane-1-thiol?
The IUPAC name of 5-(oxetan-3-yloxy)pentane-1-thiol (CID 102608739) is 5-(oxetan-3-yloxy)pentane-1-thiol.
What is the SMILES notation for 5-(oxetan-3-yloxy)pentane-1-thiol?
The canonical SMILES for 5-(oxetan-3-yloxy)pentane-1-thiol is SCCCCCOC1COC1.
What is the InChIKey of 5-(oxetan-3-yloxy)pentane-1-thiol?
The InChIKey is NATPKPLQGAHLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c11-5-3-1-2-4-10-8-6-9-7-8/h8,11H,1-7H2.
What are the key properties of 5-(oxetan-3-yloxy)pentane-1-thiol?
5-(oxetan-3-yloxy)pentane-1-thiol has a molecular weight of 176.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yloxy)pentane-1-thiol is sourced from PubChem (CID 102608739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).