selenous acid;2-sulfanylethanol

C2H8O4SSe — CID 174874921

IUPACselenous acid;2-sulfanylethanol
SMILESO=[Se](O)O.OCCS
InChIInChI=1S/C2H6OS.H2O3Se/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;(H2,1,2,3)
InChIKeyOODUMCFUYGNIDC-UHFFFAOYSA-N
MW207.11 g/mol
LogP-1.71
Rot. Bonds1

About selenous acid;2-sulfanylethanol

selenous acid;2-sulfanylethanol (PubChem CID 174874921) has the molecular formula C2H8O4SSe and a molecular weight of 207.11 g/mol. Its IUPAC name is selenous acid;2-sulfanylethanol.

Molecular Properties

Compound Nameselenous acid;2-sulfanylethanol
PubChem CID174874921
Molecular FormulaC2H8O4SSe
Molecular Weight207.11 g/mol
Exact Mass207.93
IUPAC Nameselenous acid;2-sulfanylethanol
SMILESO=[Se](O)O.OCCS
InChIInChI=1S/C2H6OS.H2O3Se/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;(H2,1,2,3)
InChIKeyOODUMCFUYGNIDC-UHFFFAOYSA-N
XLogP-1.71
TPSA77.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-sulfanyl(1,2-13C2)ethanol
CID 71308868
CID 87670557
CID 87670557
2-sulfanylethanol;trihydrochloride
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2-sulfanylethanol;sulfurous acid
CID 88746465
2-aminoethanol;selenous acid
CID 174161223
ethane-1,2-diol;hexakis(ethane-1,2-dithiol)
CID 22619653
sodium;hydride;2-sulfanylethanol;sulfuric acid
CID 175303583
sodium selenous acid
CID 54601159
(1R)-1-sulfanylethanol;2-sulfanylethanol
CID 158071036
CID 173042149
CID 173042149
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
CID 159661309
9-sulfanylnonan-1-ol
CID 46201499

Frequently Asked Questions

What is the IUPAC name of selenous acid;2-sulfanylethanol?
The IUPAC name of selenous acid;2-sulfanylethanol (CID 174874921) is selenous acid;2-sulfanylethanol.
What is the SMILES notation for selenous acid;2-sulfanylethanol?
The canonical SMILES for selenous acid;2-sulfanylethanol is O=[Se](O)O.OCCS.
What is the InChIKey of selenous acid;2-sulfanylethanol?
The InChIKey is OODUMCFUYGNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.H2O3Se/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;(H2,1,2,3).
What are the key properties of selenous acid;2-sulfanylethanol?
selenous acid;2-sulfanylethanol has a molecular weight of 207.11 g/mol, XLogP of -1.71, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for selenous acid;2-sulfanylethanol is sourced from PubChem (CID 174874921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).