O-ethyl 2-thiophen-2-ylsulfonylethanethioate

C8H10O3S3 — CID 56668815

IUPACO-ethyl 2-thiophen-2-ylsulfonylethanethioate
SMILESCCOC(=S)CS(=O)(=O)c1cccs1
InChIInChI=1S/C8H10O3S3/c1-2-11-7(12)6-14(9,10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChIKeyQKEODYBPSIVGPV-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.89
Rot. Bonds4

About O-ethyl 2-thiophen-2-ylsulfonylethanethioate

O-ethyl 2-thiophen-2-ylsulfonylethanethioate (PubChem CID 56668815) has the molecular formula C8H10O3S3 and a molecular weight of 250.37 g/mol. Its IUPAC name is O-ethyl 2-thiophen-2-ylsulfonylethanethioate.

Molecular Properties

Compound NameO-ethyl 2-thiophen-2-ylsulfonylethanethioate
PubChem CID56668815
Molecular FormulaC8H10O3S3
Molecular Weight250.37 g/mol
Exact Mass249.98
IUPAC NameO-ethyl 2-thiophen-2-ylsulfonylethanethioate
SMILESCCOC(=S)CS(=O)(=O)c1cccs1
InChIInChI=1S/C8H10O3S3/c1-2-11-7(12)6-14(9,10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChIKeyQKEODYBPSIVGPV-UHFFFAOYSA-N
XLogP1.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-ethyl 2-thiophen-2-ylsulfonylethanethioate?
The IUPAC name of O-ethyl 2-thiophen-2-ylsulfonylethanethioate (CID 56668815) is O-ethyl 2-thiophen-2-ylsulfonylethanethioate.
What is the SMILES notation for O-ethyl 2-thiophen-2-ylsulfonylethanethioate?
The canonical SMILES for O-ethyl 2-thiophen-2-ylsulfonylethanethioate is CCOC(=S)CS(=O)(=O)c1cccs1.
What is the InChIKey of O-ethyl 2-thiophen-2-ylsulfonylethanethioate?
The InChIKey is QKEODYBPSIVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S3/c1-2-11-7(12)6-14(9,10)8-4-3-5-13-8/h3-5H,2,6H2,1H3.
What are the key properties of O-ethyl 2-thiophen-2-ylsulfonylethanethioate?
O-ethyl 2-thiophen-2-ylsulfonylethanethioate has a molecular weight of 250.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl 2-thiophen-2-ylsulfonylethanethioate is sourced from PubChem (CID 56668815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).