bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol

C8H10O2S2 — CID 174982090

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol
SMILESOCCOSS.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H6O2S2/c1-2-6-4-3-5(1)6;3-1-2-4-6-5/h1-4H;3,5H,1-2H2
InChIKeyGXEROYRKNBVIDP-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.16
Rot. Bonds3

About bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol

bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol (PubChem CID 174982090) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol
PubChem CID174982090
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol
SMILESOCCOSS.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H6O2S2/c1-2-6-4-3-5(1)6;3-1-2-4-6-5/h1-4H;3,5H,1-2H2
InChIKeyGXEROYRKNBVIDP-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.16
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': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol (CID 174982090) is bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol is OCCOSS.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol?
The InChIKey is GXEROYRKNBVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H6O2S2/c1-2-6-4-3-5(1)6;3-1-2-4-6-5/h1-4H;3,5H,1-2H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol?
bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol has a molecular weight of 202.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol is sourced from PubChem (CID 174982090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).