2-prop-2-enylsulfanylethyl prop-2-enoate

C8H12O2S — CID 14957377

IUPAC2-prop-2-enylsulfanylethyl prop-2-enoate
SMILESC=CCSCCOC(=O)C=C
InChIInChI=1S/C8H12O2S/c1-3-6-11-7-5-10-8(9)4-2/h3-4H,1-2,5-7H2
InChIKeyIGGYVVVBGWGKER-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.63
Rot. Bonds6

About 2-prop-2-enylsulfanylethyl prop-2-enoate

2-prop-2-enylsulfanylethyl prop-2-enoate (PubChem CID 14957377) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylethyl prop-2-enoate.

Molecular Properties

Compound Name2-prop-2-enylsulfanylethyl prop-2-enoate
PubChem CID14957377
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-prop-2-enylsulfanylethyl prop-2-enoate
SMILESC=CCSCCOC(=O)C=C
InChIInChI=1S/C8H12O2S/c1-3-6-11-7-5-10-8(9)4-2/h3-4H,1-2,5-7H2
InChIKeyIGGYVVVBGWGKER-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoyloxyethylsulfanyl)ethylphosphonic acid
CID 137435024
2-(2-hydroxy-3-sulfanylpropyl)sulfanylethyl prop-2-enoate
CID 178068417
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
CID 170529188
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
CID 158479065
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene
CID 4997850
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
[3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
CID 20643821

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylethyl prop-2-enoate?
The IUPAC name of 2-prop-2-enylsulfanylethyl prop-2-enoate (CID 14957377) is 2-prop-2-enylsulfanylethyl prop-2-enoate.
What is the SMILES notation for 2-prop-2-enylsulfanylethyl prop-2-enoate?
The canonical SMILES for 2-prop-2-enylsulfanylethyl prop-2-enoate is C=CCSCCOC(=O)C=C.
What is the InChIKey of 2-prop-2-enylsulfanylethyl prop-2-enoate?
The InChIKey is IGGYVVVBGWGKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-3-6-11-7-5-10-8(9)4-2/h3-4H,1-2,5-7H2.
What are the key properties of 2-prop-2-enylsulfanylethyl prop-2-enoate?
2-prop-2-enylsulfanylethyl prop-2-enoate has a molecular weight of 172.25 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylethyl prop-2-enoate is sourced from PubChem (CID 14957377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).