4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone

C11H16O2S2Se3 — CID 10950948

IUPAC4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone
SMILESCSc1[se]c(=[Se])[se]c1SCCOC1CCCCO1
InChIInChI=1S/C11H16O2S2Se3/c1-14-9-10(18-11(16)17-9)15-7-6-13-8-4-2-3-5-12-8/h8H,2-7H2,1H3
InChIKeyQEPZOPHZFZVSMW-UHFFFAOYSA-N
MW481.26 g/mol
LogP1.86
Rot. Bonds6

About 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone

4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone (PubChem CID 10950948) has the molecular formula C11H16O2S2Se3 and a molecular weight of 481.26 g/mol. Its IUPAC name is 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone.

Molecular Properties

Compound Name4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone
PubChem CID10950948
Molecular FormulaC11H16O2S2Se3
Molecular Weight481.26 g/mol
Exact Mass483.81
IUPAC Name4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone
SMILESCSc1[se]c(=[Se])[se]c1SCCOC1CCCCO1
InChIInChI=1S/C11H16O2S2Se3/c1-14-9-10(18-11(16)17-9)15-7-6-13-8-4-2-3-5-12-8/h8H,2-7H2,1H3
InChIKeyQEPZOPHZFZVSMW-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.26
LogP ≤ 51.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone?
The IUPAC name of 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone (CID 10950948) is 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone.
What is the SMILES notation for 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone?
The canonical SMILES for 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone is CSc1[se]c(=[Se])[se]c1SCCOC1CCCCO1.
What is the InChIKey of 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone?
The InChIKey is QEPZOPHZFZVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S2Se3/c1-14-9-10(18-11(16)17-9)15-7-6-13-8-4-2-3-5-12-8/h8H,2-7H2,1H3.
What are the key properties of 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone?
4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone has a molecular weight of 481.26 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenole-2-selone is sourced from PubChem (CID 10950948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).