2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane

C10H14O2S — CID 54063311

IUPAC2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane
SMILESC=CC(SC(C=C)C1CO1)C1CO1
InChIInChI=1S/C10H14O2S/c1-3-9(7-5-11-7)13-10(4-2)8-6-12-8/h3-4,7-10H,1-2,5-6H2
InChIKeyMBGLSYIGMDFBNC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.63
Rot. Bonds6

About 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane

2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane (PubChem CID 54063311) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane.

Molecular Properties

Compound Name2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane
PubChem CID54063311
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane
SMILESC=CC(SC(C=C)C1CO1)C1CO1
InChIInChI=1S/C10H14O2S/c1-3-9(7-5-11-7)13-10(4-2)8-6-12-8/h3-4,7-10H,1-2,5-6H2
InChIKeyMBGLSYIGMDFBNC-UHFFFAOYSA-N
XLogP1.63
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane?
The IUPAC name of 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane (CID 54063311) is 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane.
What is the SMILES notation for 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane?
The canonical SMILES for 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane is C=CC(SC(C=C)C1CO1)C1CO1.
What is the InChIKey of 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane?
The InChIKey is MBGLSYIGMDFBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-9(7-5-11-7)13-10(4-2)8-6-12-8/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane?
2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane has a molecular weight of 198.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane is sourced from PubChem (CID 54063311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).