2-(ethyldisulfanyl)ethane-1,1-diol

C4H10O2S2 — CID 141477399

IUPAC2-(ethyldisulfanyl)ethane-1,1-diol
SMILESCCSSCC(O)O
InChIInChI=1S/C4H10O2S2/c1-2-7-8-3-4(5)6/h4-6H,2-3H2,1H3
InChIKeyWEYCCXHVUDKZRD-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.70
Rot. Bonds4

About 2-(ethyldisulfanyl)ethane-1,1-diol

2-(ethyldisulfanyl)ethane-1,1-diol (PubChem CID 141477399) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(ethyldisulfanyl)ethane-1,1-diol
PubChem CID141477399
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name2-(ethyldisulfanyl)ethane-1,1-diol
SMILESCCSSCC(O)O
InChIInChI=1S/C4H10O2S2/c1-2-7-8-3-4(5)6/h4-6H,2-3H2,1H3
InChIKeyWEYCCXHVUDKZRD-UHFFFAOYSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)ethane-1,1-diol?
The IUPAC name of 2-(ethyldisulfanyl)ethane-1,1-diol (CID 141477399) is 2-(ethyldisulfanyl)ethane-1,1-diol.
What is the SMILES notation for 2-(ethyldisulfanyl)ethane-1,1-diol?
The canonical SMILES for 2-(ethyldisulfanyl)ethane-1,1-diol is CCSSCC(O)O.
What is the InChIKey of 2-(ethyldisulfanyl)ethane-1,1-diol?
The InChIKey is WEYCCXHVUDKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-2-7-8-3-4(5)6/h4-6H,2-3H2,1H3.
What are the key properties of 2-(ethyldisulfanyl)ethane-1,1-diol?
2-(ethyldisulfanyl)ethane-1,1-diol has a molecular weight of 154.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)ethane-1,1-diol is sourced from PubChem (CID 141477399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).