2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane

C10H12O2S2Se — CID 87888938

IUPAC2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane
SMILESc1[se]cc(SCC2CO2)c1SCC1CO1
InChIInChI=1S/C10H12O2S2Se/c1-7(11-1)3-13-9-5-15-6-10(9)14-4-8-2-12-8/h5-8H,1-4H2
InChIKeyZWHPPVBMOQPGPS-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.73
Rot. Bonds6

About 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane

2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane (PubChem CID 87888938) has the molecular formula C10H12O2S2Se and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane
PubChem CID87888938
Molecular FormulaC10H12O2S2Se
Molecular Weight307.30 g/mol
Exact Mass307.94
IUPAC Name2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane
SMILESc1[se]cc(SCC2CO2)c1SCC1CO1
InChIInChI=1S/C10H12O2S2Se/c1-7(11-1)3-13-9-5-15-6-10(9)14-4-8-2-12-8/h5-8H,1-4H2
InChIKeyZWHPPVBMOQPGPS-UHFFFAOYSA-N
XLogP1.73
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane?
The IUPAC name of 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane (CID 87888938) is 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane.
What is the SMILES notation for 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane?
The canonical SMILES for 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane is c1[se]cc(SCC2CO2)c1SCC1CO1.
What is the InChIKey of 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane?
The InChIKey is ZWHPPVBMOQPGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S2Se/c1-7(11-1)3-13-9-5-15-6-10(9)14-4-8-2-12-8/h5-8H,1-4H2.
What are the key properties of 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane?
2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane has a molecular weight of 307.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane is sourced from PubChem (CID 87888938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).