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

C5H8OS2 — CID 139915908

IUPAC4-ethyl-1,3-oxathiolane-2-thione
SMILESCCC1COC(=S)S1
InChIInChI=1S/C5H8OS2/c1-2-4-3-6-5(7)8-4/h4H,2-3H2,1H3
InChIKeyZAQYIYRDFGMVOG-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.81
Rot. Bonds1

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

4-ethyl-1,3-oxathiolane-2-thione (PubChem CID 139915908) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 4-ethyl-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name4-ethyl-1,3-oxathiolane-2-thione
PubChem CID139915908
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name4-ethyl-1,3-oxathiolane-2-thione
SMILESCCC1COC(=S)S1
InChIInChI=1S/C5H8OS2/c1-2-4-3-6-5(7)8-4/h4H,2-3H2,1H3
InChIKeyZAQYIYRDFGMVOG-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,3-dioxolane-2-thione
CID 15073115
5-ethyl-1,3-dioxolane-4-thione
CID 123737466
(3S)-3-ethyl-5-methyl-2,3-dihydrofuran
CID 163483277
5-ethyl-4-methyl-5,6-dihydro-1,3-oxazine-2-thione
CID 123544519
3-ethyl-2,3,5,6,7,8-hexahydro-1,4-benzodithiine
CID 70470740
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
5-ethyloxolane-2-thione
CID 86200058
6-ethyl-5-hydroxythiomorpholin-2-one
CID 142235038
4-ethyl-1,3-dioxocane-2-thione
CID 11819527
tetrakis(2-ethyloxirane);methane
CID 162010408
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
4-chloro-2-ethyl-2,3-dihydrothiophene
CID 54006609

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-oxathiolane-2-thione?
The IUPAC name of 4-ethyl-1,3-oxathiolane-2-thione (CID 139915908) is 4-ethyl-1,3-oxathiolane-2-thione.
What is the SMILES notation for 4-ethyl-1,3-oxathiolane-2-thione?
The canonical SMILES for 4-ethyl-1,3-oxathiolane-2-thione is CCC1COC(=S)S1.
What is the InChIKey of 4-ethyl-1,3-oxathiolane-2-thione?
The InChIKey is ZAQYIYRDFGMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c1-2-4-3-6-5(7)8-4/h4H,2-3H2,1H3.
What are the key properties of 4-ethyl-1,3-oxathiolane-2-thione?
4-ethyl-1,3-oxathiolane-2-thione has a molecular weight of 148.25 g/mol, XLogP of 1.81, 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-oxathiolane-2-thione is sourced from PubChem (CID 139915908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).