2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol

C6H16O2S3 — CID 159661309

IUPAC2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
SMILESOCCS.OCCSCCS
InChIInChI=1S/C4H10OS2.C2H6OS/c5-1-3-7-4-2-6;3-1-2-4/h5-6H,1-4H2;3-4H,1-2H2
InChIKeyMSVNPNSPJDCXEI-UHFFFAOYSA-N
MW216.39 g/mol
LogP0.55
Rot. Bonds5

About 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol

2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol (PubChem CID 159661309) has the molecular formula C6H16O2S3 and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
PubChem CID159661309
Molecular FormulaC6H16O2S3
Molecular Weight216.39 g/mol
Exact Mass216.03
IUPAC Name2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
SMILESOCCS.OCCSCCS
InChIInChI=1S/C4H10OS2.C2H6OS/c5-1-3-7-4-2-6;3-1-2-4/h5-6H,1-4H2;3-4H,1-2H2
InChIKeyMSVNPNSPJDCXEI-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Thiodiglycol
CID 5447
1,4-Dithiane-2,5-diol
CID 98330
Bis(2-hydroxyethylthio)methane
CID 94785
Dithiaoctanediol
CID 78904
1,3-Bis(2-hydroxyethylthio)propane
CID 373735
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-[(2-{2-[(2-Hydroxyethyl)sulfanyl]ethoxy}ethyl)sulfanyl]ethan-1-ol
CID 569272
2,2'-(Oxybis(methylenethio))bisethanol
CID 169800
2-((2-((2-((2-Hydroxyethyl)sulfanyl)ethyl)sulfanyl)ethyl)sulfanyl)ethan-1-ol
CID 10198704
Sulfonium, tris(2-hydroxyethyl)-, chloride
CID 3031849
2-((2-Sulfanylethyl)sulfanyl)ethan-1-ol
CID 5255742
2-(2-Hydroxy(1,2-13C2)ethylsulfanyl)(1,2-13C2)ethanol
CID 12415665

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol?
The IUPAC name of 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol (CID 159661309) is 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol.
What is the SMILES notation for 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol?
The canonical SMILES for 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol is OCCS.OCCSCCS.
What is the InChIKey of 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol?
The InChIKey is MSVNPNSPJDCXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2.C2H6OS/c5-1-3-7-4-2-6;3-1-2-4/h5-6H,1-4H2;3-4H,1-2H2.
What are the key properties of 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol?
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol has a molecular weight of 216.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol is sourced from PubChem (CID 159661309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).