ethenyl ethenylsulfanylformate

C5H6O2S — CID 87149945

IUPACethenyl ethenylsulfanylformate
SMILESC=COC(=O)SC=C
InChIInChI=1S/C5H6O2S/c1-3-7-5(6)8-4-2/h3-4H,1-2H2
InChIKeyJIMBXXAFVBEUBH-UHFFFAOYSA-N
MW130.17 g/mol
LogP2.14
Rot. Bonds2

About ethenyl ethenylsulfanylformate

ethenyl ethenylsulfanylformate (PubChem CID 87149945) has the molecular formula C5H6O2S and a molecular weight of 130.17 g/mol. Its IUPAC name is ethenyl ethenylsulfanylformate.

Molecular Properties

Compound Nameethenyl ethenylsulfanylformate
PubChem CID87149945
Molecular FormulaC5H6O2S
Molecular Weight130.17 g/mol
Exact Mass130.01
IUPAC Nameethenyl ethenylsulfanylformate
SMILESC=COC(=O)SC=C
InChIInChI=1S/C5H6O2S/c1-3-7-5(6)8-4-2/h3-4H,1-2H2
InChIKeyJIMBXXAFVBEUBH-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl ethenylsulfanylformate?
The IUPAC name of ethenyl ethenylsulfanylformate (CID 87149945) is ethenyl ethenylsulfanylformate.
What is the SMILES notation for ethenyl ethenylsulfanylformate?
The canonical SMILES for ethenyl ethenylsulfanylformate is C=COC(=O)SC=C.
What is the InChIKey of ethenyl ethenylsulfanylformate?
The InChIKey is JIMBXXAFVBEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S/c1-3-7-5(6)8-4-2/h3-4H,1-2H2.
What are the key properties of ethenyl ethenylsulfanylformate?
ethenyl ethenylsulfanylformate has a molecular weight of 130.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl ethenylsulfanylformate is sourced from PubChem (CID 87149945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).