1-ethylsulfonylsulfanylpropane

C5H12O2S2 — CID 171772956

IUPAC1-ethylsulfonylsulfanylpropane
SMILESCCCSS(=O)(=O)CC
InChIInChI=1S/C5H12O2S2/c1-3-5-8-9(6,7)4-2/h3-5H2,1-2H3
InChIKeyCCXPGCVQTIHOIG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.48
Rot. Bonds4

About 1-ethylsulfonylsulfanylpropane

1-ethylsulfonylsulfanylpropane (PubChem CID 171772956) has the molecular formula C5H12O2S2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethylsulfonylsulfanylpropane.

Molecular Properties

Compound Name1-ethylsulfonylsulfanylpropane
PubChem CID171772956
Molecular FormulaC5H12O2S2
Molecular Weight168.28 g/mol
Exact Mass168.03
IUPAC Name1-ethylsulfonylsulfanylpropane
SMILESCCCSS(=O)(=O)CC
InChIInChI=1S/C5H12O2S2/c1-3-5-8-9(6,7)4-2/h3-5H2,1-2H3
InChIKeyCCXPGCVQTIHOIG-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;1-sulfosulfanylpropane
CID 173418467
1-pentylsulfanylsulfonylhexane
CID 89211517
1-hexylsulfonylsulfanylhexane
CID 13183990
azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane
CID 89364772
2-(ethylsulfonylsulfanylmethylamino)ethanol
CID 20722632
1-(trifluoromethylsulfanylsulfonyl)ethane
CID 139934250
2-ethylsulfonylsulfanyl-2-methylpropane
CID 126550407
2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
CID 131886661
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
1,2-bis(methylsulfonylsulfanyl)ethane
CID 564320
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylsulfanylpropane?
The IUPAC name of 1-ethylsulfonylsulfanylpropane (CID 171772956) is 1-ethylsulfonylsulfanylpropane.
What is the SMILES notation for 1-ethylsulfonylsulfanylpropane?
The canonical SMILES for 1-ethylsulfonylsulfanylpropane is CCCSS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonylsulfanylpropane?
The InChIKey is CCXPGCVQTIHOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S2/c1-3-5-8-9(6,7)4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethylsulfonylsulfanylpropane?
1-ethylsulfonylsulfanylpropane has a molecular weight of 168.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylsulfanylpropane is sourced from PubChem (CID 171772956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).