2-ethenylsulfanylethyl 2-methylprop-2-enoate

C8H12O2S — CID 12910620

IUPAC2-ethenylsulfanylethyl 2-methylprop-2-enoate
SMILESC=CSCCOC(=O)C(=C)C
InChIInChI=1S/C8H12O2S/c1-4-11-6-5-10-8(9)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyMZTFQCZOXHOHIH-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.98
Rot. Bonds5

About 2-ethenylsulfanylethyl 2-methylprop-2-enoate

2-ethenylsulfanylethyl 2-methylprop-2-enoate (PubChem CID 12910620) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-ethenylsulfanylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-ethenylsulfanylethyl 2-methylprop-2-enoate
PubChem CID12910620
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-ethenylsulfanylethyl 2-methylprop-2-enoate
SMILESC=CSCCOC(=O)C(=C)C
InChIInChI=1S/C8H12O2S/c1-4-11-6-5-10-8(9)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyMZTFQCZOXHOHIH-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-Propenoic acid, 2-methyl-, 1,1'-(thiodi-2,1-ethanediyl) ester
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2-Mercaptoethyl methacrylate
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Dithiodi-2,1-ethanediyl bismethacrylate
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2-(Methylthio)ethyl methacrylate
CID 3532725
Ethyl 2-[(tert-butylsulfanyl)methyl]prop-2-enoate
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3-Methacryloyloxytetrahydrothiophene
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S-methyl thioethylacrylate
CID 22596663

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-ethenylsulfanylethyl 2-methylprop-2-enoate (CID 12910620) is 2-ethenylsulfanylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-ethenylsulfanylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-ethenylsulfanylethyl 2-methylprop-2-enoate is C=CSCCOC(=O)C(=C)C.
What is the InChIKey of 2-ethenylsulfanylethyl 2-methylprop-2-enoate?
The InChIKey is MZTFQCZOXHOHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-4-11-6-5-10-8(9)7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of 2-ethenylsulfanylethyl 2-methylprop-2-enoate?
2-ethenylsulfanylethyl 2-methylprop-2-enoate has a molecular weight of 172.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 12910620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).