4-ethyl-1,3-dioxolane-2-thione

C5H8O2S — CID 15073115

IUPAC4-ethyl-1,3-dioxolane-2-thione
SMILESCCC1COC(=S)O1
InChIInChI=1S/C5H8O2S/c1-2-4-3-6-5(8)7-4/h4H,2-3H2,1H3
InChIKeySJHLMLJMSSTVNA-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.10
Rot. Bonds1

About 4-ethyl-1,3-dioxolane-2-thione

4-ethyl-1,3-dioxolane-2-thione (PubChem CID 15073115) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-ethyl-1,3-dioxolane-2-thione.

Molecular Properties

Compound Name4-ethyl-1,3-dioxolane-2-thione
PubChem CID15073115
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name4-ethyl-1,3-dioxolane-2-thione
SMILESCCC1COC(=S)O1
InChIInChI=1S/C5H8O2S/c1-2-4-3-6-5(8)7-4/h4H,2-3H2,1H3
InChIKeySJHLMLJMSSTVNA-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-1,3-dioxolane-2-thione 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

4-ethyl-1,3-dioxocane-2-thione
CID 11819527
(Z)-6-(2-sulfanylidene-1,3-dioxolan-4-yl)hex-4-enoic acid
CID 101166230
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one
CID 174867976
5-ethyloxolane-2-thione
CID 86200058
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
tetrakis(2-ethyloxirane);methane
CID 162010408
(4R)-4-ethyloxetan-2-one
CID 14325240
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
3-ethyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxine
CID 118028314
2-ethyl-7-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine
CID 160872300

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dioxolane-2-thione?
The IUPAC name of 4-ethyl-1,3-dioxolane-2-thione (CID 15073115) is 4-ethyl-1,3-dioxolane-2-thione.
What is the SMILES notation for 4-ethyl-1,3-dioxolane-2-thione?
The canonical SMILES for 4-ethyl-1,3-dioxolane-2-thione is CCC1COC(=S)O1.
What is the InChIKey of 4-ethyl-1,3-dioxolane-2-thione?
The InChIKey is SJHLMLJMSSTVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-2-4-3-6-5(8)7-4/h4H,2-3H2,1H3.
What are the key properties of 4-ethyl-1,3-dioxolane-2-thione?
4-ethyl-1,3-dioxolane-2-thione has a molecular weight of 132.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dioxolane-2-thione is sourced from PubChem (CID 15073115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).