2-(2-hydroxyethyltrisulfanyl)ethanol

C4H10O2S3 — CID 20483

IUPAC2-(2-hydroxyethyltrisulfanyl)ethanol
SMILESOCCSSSCCO
InChIInChI=1S/C4H10O2S3/c5-1-3-7-9-8-4-2-6/h5-6H,1-4H2
InChIKeyPSTIDNOIODJAFC-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.00
Rot. Bonds6

About 2-(2-hydroxyethyltrisulfanyl)ethanol

2-(2-hydroxyethyltrisulfanyl)ethanol (PubChem CID 20483) has the molecular formula C4H10O2S3 and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(2-hydroxyethyltrisulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethyltrisulfanyl)ethanol
PubChem CID20483
Molecular FormulaC4H10O2S3
Molecular Weight186.32 g/mol
Exact Mass185.98
IUPAC Name2-(2-hydroxyethyltrisulfanyl)ethanol
SMILESOCCSSSCCO
InChIInChI=1S/C4H10O2S3/c5-1-3-7-9-8-4-2-6/h5-6H,1-4H2
InChIKeyPSTIDNOIODJAFC-UHFFFAOYSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hydroxyethyl disulfide
CID 15906
Bis(2-hydroxyethylthio)methane
CID 94785
Dithiaoctanediol
CID 78904
2,2'-(Oxybis(methylenethio))bisethanol
CID 169800
Ethylene-2,2'-bis(dithio)bis(ethanol)
CID 128568
2-(2-Hydroxyethylsulfinylsulfanyl)ethanol
CID 15642524
3-[(3-Hydroxypropyl)disulfanyl]-1-propanol
CID 11651260
Ethanol, 2,2',2''-(stibylidynetris(thio))tris-
CID 116971
Antimony, tris(2-(mercapto-kappaS)ethanolato-kappaO)-
CID 172753
Selenodimercaptoethanol
CID 189143
2-(Disulfanyl)ethanol
CID 18764697
1-Hydroxyethyl disulfide
CID 21585092

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyltrisulfanyl)ethanol?
The IUPAC name of 2-(2-hydroxyethyltrisulfanyl)ethanol (CID 20483) is 2-(2-hydroxyethyltrisulfanyl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethyltrisulfanyl)ethanol?
The canonical SMILES for 2-(2-hydroxyethyltrisulfanyl)ethanol is OCCSSSCCO.
What is the InChIKey of 2-(2-hydroxyethyltrisulfanyl)ethanol?
The InChIKey is PSTIDNOIODJAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S3/c5-1-3-7-9-8-4-2-6/h5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethyltrisulfanyl)ethanol?
2-(2-hydroxyethyltrisulfanyl)ethanol has a molecular weight of 186.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyltrisulfanyl)ethanol is sourced from PubChem (CID 20483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).