5-(ethoxymethyl)-1,3-oxathiolane-2-thione

C6H10O2S2 — CID 134269001

IUPAC5-(ethoxymethyl)-1,3-oxathiolane-2-thione
SMILESCCOCC1CSC(=S)O1
InChIInChI=1S/C6H10O2S2/c1-2-7-3-5-4-10-6(9)8-5/h5H,2-4H2,1H3
InChIKeyZXXGEIIFWBAODL-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.44
Rot. Bonds3

About 5-(ethoxymethyl)-1,3-oxathiolane-2-thione

5-(ethoxymethyl)-1,3-oxathiolane-2-thione (PubChem CID 134269001) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,3-oxathiolane-2-thione
PubChem CID134269001
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name5-(ethoxymethyl)-1,3-oxathiolane-2-thione
SMILESCCOCC1CSC(=S)O1
InChIInChI=1S/C6H10O2S2/c1-2-7-3-5-4-10-6(9)8-5/h5H,2-4H2,1H3
InChIKeyZXXGEIIFWBAODL-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-1,3-oxathiolane-2-thione
CID 14024146
2,2'-Bi-1,3-oxathiolane, 2-methyl-
CID 568485
5-(Propan-2-yloxymethyl)-1,3-oxathiolane-2-thione
CID 86200493
5-[(2-Methylpropan-2-yl)oxymethyl]-1,3-oxathiolane-2-thione
CID 138972464
5-(Isopropoxymethyl)-1,3-oxathiolane
CID 132277728
(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione
CID 132992537
3,4-Dimethoxythiolane
CID 12349476
4,5-Dimethyl-1,3-oxathiolane-2-thione
CID 12411200
O-(2-propan-2-yloxyethyl) butylsulfanylmethanethioate
CID 19827500
3,4-Diethoxythiolane
CID 19899986
5-(Methoxymethyl)-1,3-oxathiolane-2-thione
CID 20740570
3-(2-Methoxyethoxy)thiolane
CID 57268409

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,3-oxathiolane-2-thione?
The IUPAC name of 5-(ethoxymethyl)-1,3-oxathiolane-2-thione (CID 134269001) is 5-(ethoxymethyl)-1,3-oxathiolane-2-thione.
What is the SMILES notation for 5-(ethoxymethyl)-1,3-oxathiolane-2-thione?
The canonical SMILES for 5-(ethoxymethyl)-1,3-oxathiolane-2-thione is CCOCC1CSC(=S)O1.
What is the InChIKey of 5-(ethoxymethyl)-1,3-oxathiolane-2-thione?
The InChIKey is ZXXGEIIFWBAODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c1-2-7-3-5-4-10-6(9)8-5/h5H,2-4H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,3-oxathiolane-2-thione?
5-(ethoxymethyl)-1,3-oxathiolane-2-thione has a molecular weight of 178.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,3-oxathiolane-2-thione is sourced from PubChem (CID 134269001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).