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

C4H10O4S2 — CID 57030752

IUPAC2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol
SMILESOC(O)CSSCC(O)O
InChIInChI=1S/C4H10O4S2/c5-3(6)1-9-10-2-4(7)8/h3-8H,1-2H2
InChIKeyAPTMUIAOGSSQEM-UHFFFAOYSA-N
MW186.25 g/mol
LogP-1.01
Rot. Bonds5

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

2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol (PubChem CID 57030752) has the molecular formula C4H10O4S2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol
PubChem CID57030752
Molecular FormulaC4H10O4S2
Molecular Weight186.25 g/mol
Exact Mass186.00
IUPAC Name2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol
SMILESOC(O)CSSCC(O)O
InChIInChI=1S/C4H10O4S2/c5-3(6)1-9-10-2-4(7)8/h3-8H,1-2H2
InChIKeyAPTMUIAOGSSQEM-UHFFFAOYSA-N
XLogP-1.01
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol?
The IUPAC name of 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol (CID 57030752) is 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol.
What is the SMILES notation for 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol?
The canonical SMILES for 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol is OC(O)CSSCC(O)O.
What is the InChIKey of 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol?
The InChIKey is APTMUIAOGSSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S2/c5-3(6)1-9-10-2-4(7)8/h3-8H,1-2H2.
What are the key properties of 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol?
2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol has a molecular weight of 186.25 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxyethyldisulfanyl)ethane-1,1-diol is sourced from PubChem (CID 57030752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).