O-(2-ethenoxyethyl) 2-methylprop-2-enethioate

C8H12O2S — CID 139619675

IUPACO-(2-ethenoxyethyl) 2-methylprop-2-enethioate
SMILESC=COCCOC(=S)C(=C)C
InChIInChI=1S/C8H12O2S/c1-4-9-5-6-10-8(11)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeySDLZUFLFUKOIDW-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.07
Rot. Bonds5

About O-(2-ethenoxyethyl) 2-methylprop-2-enethioate

O-(2-ethenoxyethyl) 2-methylprop-2-enethioate (PubChem CID 139619675) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is O-(2-ethenoxyethyl) 2-methylprop-2-enethioate.

Molecular Properties

Compound NameO-(2-ethenoxyethyl) 2-methylprop-2-enethioate
PubChem CID139619675
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC NameO-(2-ethenoxyethyl) 2-methylprop-2-enethioate
SMILESC=COCCOC(=S)C(=C)C
InChIInChI=1S/C8H12O2S/c1-4-9-5-6-10-8(11)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeySDLZUFLFUKOIDW-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze O-(2-ethenoxyethyl) 2-methylprop-2-enethioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-(2-ethenoxyethyl) 2-methylprop-2-enethioate?
The IUPAC name of O-(2-ethenoxyethyl) 2-methylprop-2-enethioate (CID 139619675) is O-(2-ethenoxyethyl) 2-methylprop-2-enethioate.
What is the SMILES notation for O-(2-ethenoxyethyl) 2-methylprop-2-enethioate?
The canonical SMILES for O-(2-ethenoxyethyl) 2-methylprop-2-enethioate is C=COCCOC(=S)C(=C)C.
What is the InChIKey of O-(2-ethenoxyethyl) 2-methylprop-2-enethioate?
The InChIKey is SDLZUFLFUKOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-4-9-5-6-10-8(11)7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of O-(2-ethenoxyethyl) 2-methylprop-2-enethioate?
O-(2-ethenoxyethyl) 2-methylprop-2-enethioate has a molecular weight of 172.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-ethenoxyethyl) 2-methylprop-2-enethioate is sourced from PubChem (CID 139619675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).