2-sulfanylethane-1,1,2-triol

C2H6O3S — CID 14440976

IUPAC2-sulfanylethane-1,1,2-triol
SMILESOC(O)C(O)S
InChIInChI=1S/C2H6O3S/c3-1(4)2(5)6/h1-6H
InChIKeyINNVGQVJJLYGTO-UHFFFAOYSA-N
MW110.13 g/mol
LogP-1.45
Rot. Bonds1

About 2-sulfanylethane-1,1,2-triol

2-sulfanylethane-1,1,2-triol (PubChem CID 14440976) has the molecular formula C2H6O3S and a molecular weight of 110.13 g/mol. Its IUPAC name is 2-sulfanylethane-1,1,2-triol.

Molecular Properties

Compound Name2-sulfanylethane-1,1,2-triol
PubChem CID14440976
Molecular FormulaC2H6O3S
Molecular Weight110.13 g/mol
Exact Mass110.00
IUPAC Name2-sulfanylethane-1,1,2-triol
SMILESOC(O)C(O)S
InChIInChI=1S/C2H6O3S/c3-1(4)2(5)6/h1-6H
InChIKeyINNVGQVJJLYGTO-UHFFFAOYSA-N
XLogP-1.45
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-1,4-bis(sulfanyl)butane-1,2,3,4-tetrol
CID 141050867
nickel;1-sulfanylethanol
CID 174917058
[bis[hydroxy(sulfanyl)methyl]amino]-sulfanylmethanol
CID 57074589
1-amino-2,2-bis(sulfanyl)ethanol
CID 57063899
1,4-bis(sulfanyl)butane-1,2-diol
CID 22316279
hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate
CID 58875440
carbanylium;copper;ethane-1,1,2,2-tetrol
CID 58811114
butane-1,1,2,3,4,4-hexol
CID 5238182
dizinc;carbanide;ethane-1,1,2,2-tetrol
CID 59911813
1-sulfanylprop-2-yn-1-ol
CID 19078213
dimethyltin;bis(1-sulfanylethanol)
CID 157136450
2-methyl-1-sulfanylpentan-1-ol
CID 154061587

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethane-1,1,2-triol?
The IUPAC name of 2-sulfanylethane-1,1,2-triol (CID 14440976) is 2-sulfanylethane-1,1,2-triol.
What is the SMILES notation for 2-sulfanylethane-1,1,2-triol?
The canonical SMILES for 2-sulfanylethane-1,1,2-triol is OC(O)C(O)S.
What is the InChIKey of 2-sulfanylethane-1,1,2-triol?
The InChIKey is INNVGQVJJLYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S/c3-1(4)2(5)6/h1-6H.
What are the key properties of 2-sulfanylethane-1,1,2-triol?
2-sulfanylethane-1,1,2-triol has a molecular weight of 110.13 g/mol, XLogP of -1.45, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethane-1,1,2-triol is sourced from PubChem (CID 14440976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).