2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane

C10H18O2S2Se — CID 22899095

IUPAC2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane
SMILESC(C[Se]CCSCC1CO1)SCC1CO1
InChIInChI=1S/C10H18O2S2Se/c1(13-7-9-5-11-9)3-15-4-2-14-8-10-6-12-10/h9-10H,1-8H2
InChIKeyWGSPFILYJRWMFD-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.79
Rot. Bonds10

About 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane

2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane (PubChem CID 22899095) has the molecular formula C10H18O2S2Se and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane
PubChem CID22899095
Molecular FormulaC10H18O2S2Se
Molecular Weight313.35 g/mol
Exact Mass313.99
IUPAC Name2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane
SMILESC(C[Se]CCSCC1CO1)SCC1CO1
InChIInChI=1S/C10H18O2S2Se/c1(13-7-9-5-11-9)3-15-4-2-14-8-10-6-12-10/h9-10H,1-8H2
InChIKeyWGSPFILYJRWMFD-UHFFFAOYSA-N
XLogP1.79
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane?
The IUPAC name of 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane (CID 22899095) is 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane.
What is the SMILES notation for 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane?
The canonical SMILES for 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane is C(C[Se]CCSCC1CO1)SCC1CO1.
What is the InChIKey of 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane?
The InChIKey is WGSPFILYJRWMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2Se/c1(13-7-9-5-11-9)3-15-4-2-14-8-10-6-12-10/h9-10H,1-8H2.
What are the key properties of 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane?
2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane has a molecular weight of 313.35 g/mol, XLogP of 1.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane is sourced from PubChem (CID 22899095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).