2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol

C10H22O2S4 — CID 172766177

IUPAC2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol
SMILESCCSCCSCCSCC(O)SCCO
InChIInChI=1S/C10H22O2S4/c1-2-13-5-6-14-7-8-15-9-10(12)16-4-3-11/h10-12H,2-9H2,1H3
InChIKeyMINXBJVEPJRGSW-UHFFFAOYSA-N
MW302.55 g/mol
LogP2.25
Rot. Bonds12

About 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol

2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol (PubChem CID 172766177) has the molecular formula C10H22O2S4 and a molecular weight of 302.55 g/mol. Its IUPAC name is 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol
PubChem CID172766177
Molecular FormulaC10H22O2S4
Molecular Weight302.55 g/mol
Exact Mass302.05
IUPAC Name2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol
SMILESCCSCCSCCSCC(O)SCCO
InChIInChI=1S/C10H22O2S4/c1-2-13-5-6-14-7-8-15-9-10(12)16-4-3-11/h10-12H,2-9H2,1H3
InChIKeyMINXBJVEPJRGSW-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylsulfanylethylsulfanyl)ethanol
CID 528228
2-[3-[2-(3-ethylsulfanylpropylsulfanyl)ethylsulfanyl]propylsulfanyl]ethane-1,1-diol
CID 154512556
2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol
CID 40543861
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
(2S)-1-(2-hydroxyethylsulfanyl)butan-2-ol
CID 130572118
2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
CID 54291740
1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane
CID 56988774
2-[(2R)-1-[2-[(2S)-2-(2-hydroxyethylsulfanyl)-3-sulfanylpropyl]sulfanylethylsulfanyl]-3-sulfanylpropan-2-yl]sulfanylethanol
CID 150798859
1-(2-hydroxyethylsulfanyl)butane-2,3-diol
CID 23362546
bis(ethylsulfanyl)methanol
CID 175288915
2-(1-ethylsulfanylbutylsulfanyl)ethanol
CID 87790352
2-pentadecylsulfanylethanol
CID 13120338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol?
The IUPAC name of 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol (CID 172766177) is 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol.
What is the SMILES notation for 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol?
The canonical SMILES for 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol is CCSCCSCCSCC(O)SCCO.
What is the InChIKey of 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol?
The InChIKey is MINXBJVEPJRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S4/c1-2-13-5-6-14-7-8-15-9-10(12)16-4-3-11/h10-12H,2-9H2,1H3.
What are the key properties of 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol?
2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol has a molecular weight of 302.55 g/mol, XLogP of 2.25, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol is sourced from PubChem (CID 172766177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).