(hydroperoxydisulfanyl)ethane

C2H6O2S2 — CID 89141005

IUPAC(hydroperoxydisulfanyl)ethane
SMILESCCSSOO
InChIInChI=1S/C2H6O2S2/c1-2-5-6-4-3/h3H,2H2,1H3
InChIKeyKFDLRCDCAYOKAS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.79
Rot. Bonds3

About (hydroperoxydisulfanyl)ethane

(hydroperoxydisulfanyl)ethane (PubChem CID 89141005) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (hydroperoxydisulfanyl)ethane.

Molecular Properties

Compound Name(hydroperoxydisulfanyl)ethane
PubChem CID89141005
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Name(hydroperoxydisulfanyl)ethane
SMILESCCSSOO
InChIInChI=1S/C2H6O2S2/c1-2-5-6-4-3/h3H,2H2,1H3
InChIKeyKFDLRCDCAYOKAS-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;(ethyldisulfanyl)ethane
CID 159600030
carbonodithioic S,S-acid;(ethyldisulfanyl)ethane
CID 175110136
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
CID 159797170
butane;hydroperoxymethane
CID 142008875
1-(ethyldisulfanyl)-2-methoxyethane
CID 58608020
hydroperoxyethane;rhodium
CID 150435178
ethanol;hydron
CID 174459614
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
1-hydroperoxy-1-tritioethane
CID 160895016
CID 174755451
CID 174755451

Frequently Asked Questions

What is the IUPAC name of (hydroperoxydisulfanyl)ethane?
The IUPAC name of (hydroperoxydisulfanyl)ethane (CID 89141005) is (hydroperoxydisulfanyl)ethane.
What is the SMILES notation for (hydroperoxydisulfanyl)ethane?
The canonical SMILES for (hydroperoxydisulfanyl)ethane is CCSSOO.
What is the InChIKey of (hydroperoxydisulfanyl)ethane?
The InChIKey is KFDLRCDCAYOKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c1-2-5-6-4-3/h3H,2H2,1H3.
What are the key properties of (hydroperoxydisulfanyl)ethane?
(hydroperoxydisulfanyl)ethane has a molecular weight of 126.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroperoxydisulfanyl)ethane is sourced from PubChem (CID 89141005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).