5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol

C10H20OS2 — CID 106497637

IUPAC5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol
SMILESSCCCCCSCC1CCCO1
InChIInChI=1S/C10H20OS2/c12-7-2-1-3-8-13-9-10-5-4-6-11-10/h10,12H,1-9H2
InChIKeyQMZCHWMVDWLAQG-UHFFFAOYSA-N
MW220.40 g/mol
LogP3.00
Rot. Bonds7

About 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol

5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol (PubChem CID 106497637) has the molecular formula C10H20OS2 and a molecular weight of 220.40 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol
PubChem CID106497637
Molecular FormulaC10H20OS2
Molecular Weight220.40 g/mol
Exact Mass220.10
IUPAC Name5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol
SMILESSCCCCCSCC1CCCO1
InChIInChI=1S/C10H20OS2/c12-7-2-1-3-8-13-9-10-5-4-6-11-10/h10,12H,1-9H2
InChIKeyQMZCHWMVDWLAQG-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.00
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

Tetrahydrofurfurylsulfide
CID 129750352
2-Butyl-4-methyl-1,3-oxathiolane
CID 129801113
2-Butyl-2-methyl-1,3-oxathiolane
CID 13004868
4,5-Dimethyl-2-[2-(methylsulfanyl)ethyl]-1,3-oxathiolane
CID 20398667
1-(2-Methyl-1,3-oxathiolan-2-yl)propane-2-thiol
CID 20430703
2,5-Dimethyl-3-(2-methylthiolan-2-yl)sulfanyloxolane
CID 20442794
2-Methyl-3-(2-methylthiolan-2-yl)sulfanyloxolane
CID 20442798
2-Methyl-2-(2-methylthiolan-3-yl)sulfanyloxolane
CID 20442800
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
2-(2,2-Dimethylpropylsulfanylmethyl)oxolane
CID 21060295
Oxolan-2-ylmethyl pentanedithioate
CID 57053848
(2,2-Diethyl-1,3-oxathiolan-4-yl)methanethiol
CID 57155662

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol?
The IUPAC name of 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol (CID 106497637) is 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol is SCCCCCSCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol?
The InChIKey is QMZCHWMVDWLAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS2/c12-7-2-1-3-8-13-9-10-5-4-6-11-10/h10,12H,1-9H2.
What are the key properties of 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol?
5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol has a molecular weight of 220.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfanyl)pentane-1-thiol is sourced from PubChem (CID 106497637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).