2-sulfanylidene-N-thiophen-2-ylacetamide

C6H5NOS2 — CID 54474096

IUPAC2-sulfanylidene-N-thiophen-2-ylacetamide
SMILESO=C(C=S)Nc1cccs1
InChIInChI=1S/C6H5NOS2/c8-5(4-9)7-6-2-1-3-10-6/h1-4H,(H,7,8)
InChIKeyXKISHZFAKPQCAZ-UHFFFAOYSA-N
MW171.25 g/mol
LogP1.69
Rot. Bonds2

About 2-sulfanylidene-N-thiophen-2-ylacetamide

2-sulfanylidene-N-thiophen-2-ylacetamide (PubChem CID 54474096) has the molecular formula C6H5NOS2 and a molecular weight of 171.25 g/mol. Its IUPAC name is 2-sulfanylidene-N-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-sulfanylidene-N-thiophen-2-ylacetamide
PubChem CID54474096
Molecular FormulaC6H5NOS2
Molecular Weight171.25 g/mol
Exact Mass170.98
IUPAC Name2-sulfanylidene-N-thiophen-2-ylacetamide
SMILESO=C(C=S)Nc1cccs1
InChIInChI=1S/C6H5NOS2/c8-5(4-9)7-6-2-1-3-10-6/h1-4H,(H,7,8)
InChIKeyXKISHZFAKPQCAZ-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-N-thiophen-2-ylacetamide?
The IUPAC name of 2-sulfanylidene-N-thiophen-2-ylacetamide (CID 54474096) is 2-sulfanylidene-N-thiophen-2-ylacetamide.
What is the SMILES notation for 2-sulfanylidene-N-thiophen-2-ylacetamide?
The canonical SMILES for 2-sulfanylidene-N-thiophen-2-ylacetamide is O=C(C=S)Nc1cccs1.
What is the InChIKey of 2-sulfanylidene-N-thiophen-2-ylacetamide?
The InChIKey is XKISHZFAKPQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS2/c8-5(4-9)7-6-2-1-3-10-6/h1-4H,(H,7,8).
What are the key properties of 2-sulfanylidene-N-thiophen-2-ylacetamide?
2-sulfanylidene-N-thiophen-2-ylacetamide has a molecular weight of 171.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-N-thiophen-2-ylacetamide is sourced from PubChem (CID 54474096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).