2-(1-ethylsulfanylbutylsulfanyl)ethanol

C8H18OS2 — CID 87790352

IUPAC2-(1-ethylsulfanylbutylsulfanyl)ethanol
SMILESCCCC(SCC)SCCO
InChIInChI=1S/C8H18OS2/c1-3-5-8(10-4-2)11-7-6-9/h8-9H,3-7H2,1-2H3
InChIKeyLWXVGDUDDYFRHN-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.59
Rot. Bonds7

About 2-(1-ethylsulfanylbutylsulfanyl)ethanol

2-(1-ethylsulfanylbutylsulfanyl)ethanol (PubChem CID 87790352) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-(1-ethylsulfanylbutylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylsulfanylbutylsulfanyl)ethanol
PubChem CID87790352
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name2-(1-ethylsulfanylbutylsulfanyl)ethanol
SMILESCCCC(SCC)SCCO
InChIInChI=1S/C8H18OS2/c1-3-5-8(10-4-2)11-7-6-9/h8-9H,3-7H2,1-2H3
InChIKeyLWXVGDUDDYFRHN-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-bis(ethylsulfanyl)butan-1-ol
CID 71424924
1-(1-dodecylsulfanylbutylsulfanyl)dodecane
CID 21446623
ethane-1,2-diol;octan-4-ol
CID 174867706
4,4-bis(ethylsulfanyl)butanal
CID 11344544
2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol
CID 154121869
(2R)-2-ethylsulfanylpentanoic acid
CID 1201456
N'-hydroxy-2-(2-hydroxyethylsulfanyl)butanimidamide
CID 76915973
2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol
CID 172766177
1-propylsulfanylbutan-1-ol
CID 150335273
1,4-bis(ethylsulfanyl)butane-1,4-diol
CID 88730101
2-(propyldisulfanyl)ethanol
CID 11977395
3-[1-(2-carboxyethylsulfanyl)undecylsulfanyl]propanoic acid
CID 139912901

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfanylbutylsulfanyl)ethanol?
The IUPAC name of 2-(1-ethylsulfanylbutylsulfanyl)ethanol (CID 87790352) is 2-(1-ethylsulfanylbutylsulfanyl)ethanol.
What is the SMILES notation for 2-(1-ethylsulfanylbutylsulfanyl)ethanol?
The canonical SMILES for 2-(1-ethylsulfanylbutylsulfanyl)ethanol is CCCC(SCC)SCCO.
What is the InChIKey of 2-(1-ethylsulfanylbutylsulfanyl)ethanol?
The InChIKey is LWXVGDUDDYFRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-3-5-8(10-4-2)11-7-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(1-ethylsulfanylbutylsulfanyl)ethanol?
2-(1-ethylsulfanylbutylsulfanyl)ethanol has a molecular weight of 194.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfanylbutylsulfanyl)ethanol is sourced from PubChem (CID 87790352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).