ethyl prop-2-enoate;sulfane

C5H10O2S — CID 157093783

IUPACethyl prop-2-enoate;sulfane
SMILESC=CC(=O)OCC.S
InChIInChI=1S/C5H8O2.H2S/c1-3-5(6)7-4-2;/h3H,1,4H2,2H3;1H2
InChIKeyRACUZZFLMAFWOT-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.85
Rot. Bonds2

About ethyl prop-2-enoate;sulfane

ethyl prop-2-enoate;sulfane (PubChem CID 157093783) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is ethyl prop-2-enoate;sulfane.

Molecular Properties

Compound Nameethyl prop-2-enoate;sulfane
PubChem CID157093783
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Nameethyl prop-2-enoate;sulfane
SMILESC=CC(=O)OCC.S
InChIInChI=1S/C5H8O2.H2S/c1-3-5(6)7-4-2;/h3H,1,4H2,2H3;1H2
InChIKeyRACUZZFLMAFWOT-UHFFFAOYSA-N
XLogP0.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl prop-2-enoate;hydroiodide
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ethyl prop-2-enoate;hydrochloride
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ethyl prop-2-enoate;ethyl(trimethyl)azanium
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ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
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ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethyl prop-2-enoate;methylimino(oxo)methane
CID 160786021
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
CID 174828535

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;sulfane?
The IUPAC name of ethyl prop-2-enoate;sulfane (CID 157093783) is ethyl prop-2-enoate;sulfane.
What is the SMILES notation for ethyl prop-2-enoate;sulfane?
The canonical SMILES for ethyl prop-2-enoate;sulfane is C=CC(=O)OCC.S.
What is the InChIKey of ethyl prop-2-enoate;sulfane?
The InChIKey is RACUZZFLMAFWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.H2S/c1-3-5(6)7-4-2;/h3H,1,4H2,2H3;1H2.
What are the key properties of ethyl prop-2-enoate;sulfane?
ethyl prop-2-enoate;sulfane has a molecular weight of 134.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;sulfane is sourced from PubChem (CID 157093783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).