3-(2-sulfanylethoxy)propane-1-thiol

C5H12OS2 — CID 56989833

IUPAC3-(2-sulfanylethoxy)propane-1-thiol
SMILESSCCCOCCS
InChIInChI=1S/C5H12OS2/c7-4-1-2-6-3-5-8/h7-8H,1-5H2
InChIKeyJKPONRSICSLXEU-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.25
Rot. Bonds5

About 3-(2-sulfanylethoxy)propane-1-thiol

3-(2-sulfanylethoxy)propane-1-thiol (PubChem CID 56989833) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-(2-sulfanylethoxy)propane-1-thiol.

Molecular Properties

Compound Name3-(2-sulfanylethoxy)propane-1-thiol
PubChem CID56989833
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name3-(2-sulfanylethoxy)propane-1-thiol
SMILESSCCCOCCS
InChIInChI=1S/C5H12OS2/c7-4-1-2-6-3-5-8/h7-8H,1-5H2
InChIKeyJKPONRSICSLXEU-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
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

2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
CID 159182397
CID 172913565
CID 172913565
3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol
CID 21337102
2-octadecoxyethanethiol
CID 54282852
2-(6-sulfanylhexoxy)ethanol
CID 88540112
2-(3-sulfanylpropoxy)ethyl acetate
CID 171581130
1,3,5-tris[3-(2-sulfanylethoxy)propyl]-1,3,5-triazinane-2,4,6-trione
CID 176684186
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139253107
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
3-[2-(3-sulfanylpropylperoxy)ethylperoxy]propane-1-thiol
CID 21337103
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylethoxy)propane-1-thiol?
The IUPAC name of 3-(2-sulfanylethoxy)propane-1-thiol (CID 56989833) is 3-(2-sulfanylethoxy)propane-1-thiol.
What is the SMILES notation for 3-(2-sulfanylethoxy)propane-1-thiol?
The canonical SMILES for 3-(2-sulfanylethoxy)propane-1-thiol is SCCCOCCS.
What is the InChIKey of 3-(2-sulfanylethoxy)propane-1-thiol?
The InChIKey is JKPONRSICSLXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c7-4-1-2-6-3-5-8/h7-8H,1-5H2.
What are the key properties of 3-(2-sulfanylethoxy)propane-1-thiol?
3-(2-sulfanylethoxy)propane-1-thiol has a molecular weight of 152.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylethoxy)propane-1-thiol is sourced from PubChem (CID 56989833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).