2-thiophen-2-ylsulfonylethanethioamide

C6H7NO2S3 — CID 2778709

IUPAC2-thiophen-2-ylsulfonylethanethioamide
SMILESNC(=S)CS(=O)(=O)c1cccs1
InChIInChI=1S/C6H7NO2S3/c7-5(10)4-12(8,9)6-2-1-3-11-6/h1-3H,4H2,(H2,7,10)
InChIKeyYNPIRUTXXLFXRU-UHFFFAOYSA-N
MW221.33 g/mol
LogP0.81
Rot. Bonds3

About 2-thiophen-2-ylsulfonylethanethioamide

2-thiophen-2-ylsulfonylethanethioamide (PubChem CID 2778709) has the molecular formula C6H7NO2S3 and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfonylethanethioamide.

Molecular Properties

Compound Name2-thiophen-2-ylsulfonylethanethioamide
PubChem CID2778709
Molecular FormulaC6H7NO2S3
Molecular Weight221.33 g/mol
Exact Mass220.96
IUPAC Name2-thiophen-2-ylsulfonylethanethioamide
SMILESNC(=S)CS(=O)(=O)c1cccs1
InChIInChI=1S/C6H7NO2S3/c7-5(10)4-12(8,9)6-2-1-3-11-6/h1-3H,4H2,(H2,7,10)
InChIKeyYNPIRUTXXLFXRU-UHFFFAOYSA-N
XLogP0.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-thiophen-2-ylsulfonylethanethioamide?
The IUPAC name of 2-thiophen-2-ylsulfonylethanethioamide (CID 2778709) is 2-thiophen-2-ylsulfonylethanethioamide.
What is the SMILES notation for 2-thiophen-2-ylsulfonylethanethioamide?
The canonical SMILES for 2-thiophen-2-ylsulfonylethanethioamide is NC(=S)CS(=O)(=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfonylethanethioamide?
The InChIKey is YNPIRUTXXLFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S3/c7-5(10)4-12(8,9)6-2-1-3-11-6/h1-3H,4H2,(H2,7,10).
What are the key properties of 2-thiophen-2-ylsulfonylethanethioamide?
2-thiophen-2-ylsulfonylethanethioamide has a molecular weight of 221.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfonylethanethioamide is sourced from PubChem (CID 2778709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).