2-sulfanylethanol;sulfurous acid

C2H8O4S2 — CID 88746465

IUPAC2-sulfanylethanol;sulfurous acid
SMILESO=S(O)O.OCCS
InChIInChI=1S/C2H6OS.H2O3S/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;(H2,1,2,3)
InChIKeyJTNIIQIDILMXTP-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.41
Rot. Bonds1

About 2-sulfanylethanol;sulfurous acid

2-sulfanylethanol;sulfurous acid (PubChem CID 88746465) has the molecular formula C2H8O4S2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-sulfanylethanol;sulfurous acid.

Molecular Properties

Compound Name2-sulfanylethanol;sulfurous acid
PubChem CID88746465
Molecular FormulaC2H8O4S2
Molecular Weight160.22 g/mol
Exact Mass159.99
IUPAC Name2-sulfanylethanol;sulfurous acid
SMILESO=S(O)O.OCCS
InChIInChI=1S/C2H6OS.H2O3S/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;(H2,1,2,3)
InChIKeyJTNIIQIDILMXTP-UHFFFAOYSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', '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
CID 162128674
ethane-1,2-diol;ethene;sulfurous acid
CID 174875455
selenous acid;2-sulfanylethanol
CID 174874921
2-sulfanylacetic acid;sulfurous acid
CID 163597017
ethane-1,2-diol;hexakis(ethane-1,2-dithiol)
CID 22619653
sodium;hydride;2-sulfanylethanol;sulfuric acid
CID 175303583
hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424
CID 139595971
CID 139595971
iron;sulfurous acid
CID 175438968

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethanol;sulfurous acid?
The IUPAC name of 2-sulfanylethanol;sulfurous acid (CID 88746465) is 2-sulfanylethanol;sulfurous acid.
What is the SMILES notation for 2-sulfanylethanol;sulfurous acid?
The canonical SMILES for 2-sulfanylethanol;sulfurous acid is O=S(O)O.OCCS.
What is the InChIKey of 2-sulfanylethanol;sulfurous acid?
The InChIKey is JTNIIQIDILMXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.H2O3S/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;(H2,1,2,3).
What are the key properties of 2-sulfanylethanol;sulfurous acid?
2-sulfanylethanol;sulfurous acid has a molecular weight of 160.22 g/mol, XLogP of -0.41, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethanol;sulfurous acid is sourced from PubChem (CID 88746465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).