1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane

C10H22OS3 — CID 12636145

IUPAC1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
SMILESCCCSCCS(=O)CCSCCC
InChIInChI=1S/C10H22OS3/c1-3-5-12-7-9-14(11)10-8-13-6-4-2/h3-10H2,1-2H3
InChIKeyIFCLSSRENLJCMA-UHFFFAOYSA-N
MW254.49 g/mol
LogP3.02
Rot. Bonds10

About 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane

1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane (PubChem CID 12636145) has the molecular formula C10H22OS3 and a molecular weight of 254.49 g/mol. Its IUPAC name is 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane.

Molecular Properties

Compound Name1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
PubChem CID12636145
Molecular FormulaC10H22OS3
Molecular Weight254.49 g/mol
Exact Mass254.08
IUPAC Name1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
SMILESCCCSCCS(=O)CCSCCC
InChIInChI=1S/C10H22OS3/c1-3-5-12-7-9-14(11)10-8-13-6-4-2/h3-10H2,1-2H3
InChIKeyIFCLSSRENLJCMA-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanol;1-propylsulfanylpropane
CID 175163753
1-propylsulfanylpropane;trichlorogallane
CID 139244115
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
1-propylsulfanylhexadecane
CID 19914808
1-heptadecylsulfinylheptadecane
CID 54059826
1-propylsulfinylbutane
CID 564183
ethylsulfanylethane;1-ethylsulfanylpropane
CID 91509545
1-(2-chloroethylsulfanyl)-2-methylsulfinylethane
CID 127017144
3-(13-propylsulfanyltrideca-5,8,11-trienylsulfinyl)propanoic acid
CID 123754930
S-(methylsulfanylmethyl) 2-[2-[2-(2-hydroxyethylsulfanyl)ethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]ethanethioate
CID 58670734
ethane;2-methyl-5-propylsulfanylpent-2-ene
CID 143651282
propane-1,2-diol;1-propylsulfanylpropane
CID 174932498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane?
The IUPAC name of 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane (CID 12636145) is 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane.
What is the SMILES notation for 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane?
The canonical SMILES for 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane is CCCSCCS(=O)CCSCCC.
What is the InChIKey of 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane?
The InChIKey is IFCLSSRENLJCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS3/c1-3-5-12-7-9-14(11)10-8-13-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane?
1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane has a molecular weight of 254.49 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane is sourced from PubChem (CID 12636145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).