2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol

C11H22OS2 — CID 106497624

IUPAC2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
SMILESCCCC(CS)CSCC1CCCO1
InChIInChI=1S/C11H22OS2/c1-2-4-10(7-13)8-14-9-11-5-3-6-12-11/h10-11,13H,2-9H2,1H3
InChIKeyUHIMINWGXJTOHE-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.24
Rot. Bonds7

About 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol

2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol (PubChem CID 106497624) has the molecular formula C11H22OS2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
PubChem CID106497624
Molecular FormulaC11H22OS2
Molecular Weight234.43 g/mol
Exact Mass234.11
IUPAC Name2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
SMILESCCCC(CS)CSCC1CCCO1
InChIInChI=1S/C11H22OS2/c1-2-4-10(7-13)8-14-9-11-5-3-6-12-11/h10-11,13H,2-9H2,1H3
InChIKeyUHIMINWGXJTOHE-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
3-(oxolan-2-ylmethylsulfanyl)heptan-4-amine
CID 106496756
1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496950
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
N-methyl-2-(oxolan-2-ylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 106496962

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol (CID 106497624) is 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol is CCCC(CS)CSCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol?
The InChIKey is UHIMINWGXJTOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2/c1-2-4-10(7-13)8-14-9-11-5-3-6-12-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol?
2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol has a molecular weight of 234.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol is sourced from PubChem (CID 106497624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).