2-propan-2-ylsulfanylethyl prop-2-enoate

C8H14O2S — CID 58422252

IUPAC2-propan-2-ylsulfanylethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(C)C
InChIInChI=1S/C8H14O2S/c1-4-8(9)10-5-6-11-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyZVIIVNCTWWYXDD-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.86
Rot. Bonds5

About 2-propan-2-ylsulfanylethyl prop-2-enoate

2-propan-2-ylsulfanylethyl prop-2-enoate (PubChem CID 58422252) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylethyl prop-2-enoate.

Molecular Properties

Compound Name2-propan-2-ylsulfanylethyl prop-2-enoate
PubChem CID58422252
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-propan-2-ylsulfanylethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(C)C
InChIInChI=1S/C8H14O2S/c1-4-8(9)10-5-6-11-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyZVIIVNCTWWYXDD-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.86
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'}

Analyze 2-propan-2-ylsulfanylethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate
CID 23044364
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
CID 23044366
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-(octyldisulfanyl)ethyl prop-2-enoate
CID 155643744
2-(undecyldisulfanyl)ethyl prop-2-enoate
CID 163198886
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enylsulfanylethyl prop-2-enoate
CID 14957377
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
CID 170529188

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylethyl prop-2-enoate?
The IUPAC name of 2-propan-2-ylsulfanylethyl prop-2-enoate (CID 58422252) is 2-propan-2-ylsulfanylethyl prop-2-enoate.
What is the SMILES notation for 2-propan-2-ylsulfanylethyl prop-2-enoate?
The canonical SMILES for 2-propan-2-ylsulfanylethyl prop-2-enoate is C=CC(=O)OCCSC(C)C.
What is the InChIKey of 2-propan-2-ylsulfanylethyl prop-2-enoate?
The InChIKey is ZVIIVNCTWWYXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-4-8(9)10-5-6-11-7(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-propan-2-ylsulfanylethyl prop-2-enoate?
2-propan-2-ylsulfanylethyl prop-2-enoate has a molecular weight of 174.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylethyl prop-2-enoate is sourced from PubChem (CID 58422252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).