2-sulfanylethanol;trihydrochloride

C2H9Cl3OS — CID 162128674

IUPAC2-sulfanylethanol;trihydrochloride
SMILESCl.Cl.Cl.OCCS
InChIInChI=1S/C2H6OS.3ClH/c3-1-2-4;;;/h3-4H,1-2H2;3*1H
InChIKeyZIJLSFZSQOXQMH-UHFFFAOYSA-N
MW187.52 g/mol
LogP1.17
Rot. Bonds1

About 2-sulfanylethanol;trihydrochloride

2-sulfanylethanol;trihydrochloride (PubChem CID 162128674) has the molecular formula C2H9Cl3OS and a molecular weight of 187.52 g/mol. Its IUPAC name is 2-sulfanylethanol;trihydrochloride.

Molecular Properties

Compound Name2-sulfanylethanol;trihydrochloride
PubChem CID162128674
Molecular FormulaC2H9Cl3OS
Molecular Weight187.52 g/mol
Exact Mass185.94
IUPAC Name2-sulfanylethanol;trihydrochloride
SMILESCl.Cl.Cl.OCCS
InChIInChI=1S/C2H6OS.3ClH/c3-1-2-4;;;/h3-4H,1-2H2;3*1H
InChIKeyZIJLSFZSQOXQMH-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.52
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71308868
CID 87670557
CID 87670557
ethane-1,2-diol;hexakis(ethane-1,2-dithiol)
CID 22619653
2-sulfanylethanol;sulfurous acid
CID 88746465
selenous acid;2-sulfanylethanol
CID 174874921
(1R)-1-sulfanylethanol;2-sulfanylethanol
CID 158071036
sodium;hydride;2-sulfanylethanol;sulfuric acid
CID 175303583
ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;trihydrochloride
CID 172793976
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
CID 159661309
9-sulfanylnonan-1-ol
CID 46201499

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethanol;trihydrochloride?
The IUPAC name of 2-sulfanylethanol;trihydrochloride (CID 162128674) is 2-sulfanylethanol;trihydrochloride.
What is the SMILES notation for 2-sulfanylethanol;trihydrochloride?
The canonical SMILES for 2-sulfanylethanol;trihydrochloride is Cl.Cl.Cl.OCCS.
What is the InChIKey of 2-sulfanylethanol;trihydrochloride?
The InChIKey is ZIJLSFZSQOXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.3ClH/c3-1-2-4;;;/h3-4H,1-2H2;3*1H.
What are the key properties of 2-sulfanylethanol;trihydrochloride?
2-sulfanylethanol;trihydrochloride has a molecular weight of 187.52 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethanol;trihydrochloride is sourced from PubChem (CID 162128674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).