2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane

C10H14O3S2 — CID 88761423

IUPAC2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane
SMILESC=CSC1(COCC2(SC=C)CO2)CO1
InChIInChI=1S/C10H14O3S2/c1-3-14-9(7-12-9)5-11-6-10(8-13-10)15-4-2/h3-4H,1-2,5-8H2
InChIKeyOTOPSCHYDJRPQK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.21
Rot. Bonds8

About 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane

2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane (PubChem CID 88761423) has the molecular formula C10H14O3S2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane
PubChem CID88761423
Molecular FormulaC10H14O3S2
Molecular Weight246.35 g/mol
Exact Mass246.04
IUPAC Name2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane
SMILESC=CSC1(COCC2(SC=C)CO2)CO1
InChIInChI=1S/C10H14O3S2/c1-3-14-9(7-12-9)5-11-6-10(8-13-10)15-4-2/h3-4H,1-2,5-8H2
InChIKeyOTOPSCHYDJRPQK-UHFFFAOYSA-N
XLogP2.21
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane?
The IUPAC name of 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane (CID 88761423) is 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane.
What is the SMILES notation for 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane?
The canonical SMILES for 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane is C=CSC1(COCC2(SC=C)CO2)CO1.
What is the InChIKey of 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane?
The InChIKey is OTOPSCHYDJRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S2/c1-3-14-9(7-12-9)5-11-6-10(8-13-10)15-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane?
2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane has a molecular weight of 246.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-2-[(2-ethenylsulfanyloxiran-2-yl)methoxymethyl]oxirane is sourced from PubChem (CID 88761423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).