1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate

C12H18O4S2 — CID 22620933

IUPAC1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)SC(C)SC(C)OC(=O)C=C
InChIInChI=1S/C12H18O4S2/c1-6-11(13)15-8(3)17-10(5)18-9(4)16-12(14)7-2/h6-10H,1-2H2,3-5H3
InChIKeyGMHOCHICBBBICE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds8

About 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate

1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate (PubChem CID 22620933) has the molecular formula C12H18O4S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate
PubChem CID22620933
Molecular FormulaC12H18O4S2
Molecular Weight290.41 g/mol
Exact Mass290.06
IUPAC Name1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)SC(C)SC(C)OC(=O)C=C
InChIInChI=1S/C12H18O4S2/c1-6-11(13)15-8(3)17-10(5)18-9(4)16-12(14)7-2/h6-10H,1-2H2,3-5H3
InChIKeyGMHOCHICBBBICE-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Methylthio)ethyl acrylate
CID 20973
2-Propenoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
CID 88213
2-(Ethylthio)ethyl acrylate
CID 27134
Sulfonium, 2-acryloxyethyldimethyl-, methyl sulfate
CID 78549
ethyl (E)-4-ethylsulfanyl-4-oxobut-2-enoate
CID 13198664
S-methyl thioethylacrylate
CID 22596663
Disulfanediylbis(ethane-2,1-diyl) diacrylate
CID 71657381
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
Ethyl 3,3-bis(ethylsulfanyl)prop-2-enoate
CID 13275257
bis(2-methylsulfanylpropyl) (Z)-but-2-enedioate
CID 129830112
Ethyl (z)-3-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)-2-propenoate
CID 154733070

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate?
The IUPAC name of 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate (CID 22620933) is 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate.
What is the SMILES notation for 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate?
The canonical SMILES for 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate is C=CC(=O)OC(C)SC(C)SC(C)OC(=O)C=C.
What is the InChIKey of 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate?
The InChIKey is GMHOCHICBBBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4S2/c1-6-11(13)15-8(3)17-10(5)18-9(4)16-12(14)7-2/h6-10H,1-2H2,3-5H3.
What are the key properties of 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate?
1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate has a molecular weight of 290.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethyl prop-2-enoate is sourced from PubChem (CID 22620933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).