2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol

C6H14OS3 — CID 127006955

IUPAC2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol
SMILESCSCSCCSCCO
InChIInChI=1S/C6H14OS3/c1-8-6-10-5-4-9-3-2-7/h7H,2-6H2,1H3
InChIKeyUTNIXXXIDQBMLE-UHFFFAOYSA-N
MW198.38 g/mol
LogP1.77
Rot. Bonds7

About 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol

2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol (PubChem CID 127006955) has the molecular formula C6H14OS3 and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol
PubChem CID127006955
Molecular FormulaC6H14OS3
Molecular Weight198.38 g/mol
Exact Mass198.02
IUPAC Name2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol
SMILESCSCSCCSCCO
InChIInChI=1S/C6H14OS3/c1-8-6-10-5-4-9-3-2-7/h7H,2-6H2,1H3
InChIKeyUTNIXXXIDQBMLE-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Thiodiglycol
CID 5447
2-(Ethylthio)ethanol
CID 8075
Bis(2-hydroxyethylthio)methane
CID 94785
2-(Butylthio)ethanol
CID 79241
Dithiaoctanediol
CID 78904
2-(Propylthio)ethanol
CID 89850
2-(tert-Butylthio)ethanol
CID 79379
Ethanol, 2-(methoxyethylthio)-
CID 33163
2-((1-Methylethyl)thio)ethanol
CID 101268
Sulfonium, (2-hydroxyethyl)dimethyl-
CID 186058
Ethyl(2-hydroxyethyl)methylsulfanium iodide
CID 3056978
2-Hydroxyethyl(dimethyl)sulfanium iodide
CID 44275350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol (CID 127006955) is 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol is CSCSCCSCCO.
What is the InChIKey of 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol?
The InChIKey is UTNIXXXIDQBMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS3/c1-8-6-10-5-4-9-3-2-7/h7H,2-6H2,1H3.
What are the key properties of 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol?
2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol has a molecular weight of 198.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol is sourced from PubChem (CID 127006955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).