prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate

C10H14O4S — CID 22740

IUPACprop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate
SMILESC=CCOC(=O)CSCC(=O)OCC=C
InChIInChI=1S/C10H14O4S/c1-3-5-13-9(11)7-15-8-10(12)14-6-4-2/h3-4H,1-2,5-8H2
InChIKeyABEBWTHQUYXXHD-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.18
Rot. Bonds8

About prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate

prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate (PubChem CID 22740) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate
PubChem CID22740
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Nameprop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate
SMILESC=CCOC(=O)CSCC(=O)OCC=C
InChIInChI=1S/C10H14O4S/c1-3-5-13-9(11)7-15-8-10(12)14-6-4-2/h3-4H,1-2,5-8H2
InChIKeyABEBWTHQUYXXHD-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
CID 88213
2-(Ethylthio)ethyl acrylate
CID 27134
Prop-2-enyl 2-sulfanylacetate
CID 11480467
Ethyl [(prop-2-en-1-yl)sulfanyl]acetate
CID 12717294
2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-
CID 5825729
2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2Z,2'Z)-
CID 6436527
Diprop-2-en-1-yl 3,3'-sulfanediyldipropanoate
CID 14434560
Ethyl 2-prop-2-enylsulfanylpropanoate
CID 75790741
2-Acetoxy-2,5-dihydrothiophene
CID 129784804
Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
CID 88618
Di-2-butenyl thiodiacetate
CID 134828200
ethyl (Z)-3-(2-ethoxy-2-oxoethyl)sulfanylprop-2-enoate
CID 5383955

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate?
The IUPAC name of prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate (CID 22740) is prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate.
What is the SMILES notation for prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate?
The canonical SMILES for prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate is C=CCOC(=O)CSCC(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate?
The InChIKey is ABEBWTHQUYXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-3-5-13-9(11)7-15-8-10(12)14-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate?
prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate has a molecular weight of 230.28 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethyl)sulfanylacetate is sourced from PubChem (CID 22740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).