2-sulfanyl-2-thiophen-3-ylacetamide

C6H7NOS2 — CID 174314664

IUPAC2-sulfanyl-2-thiophen-3-ylacetamide
SMILESNC(=O)C(S)c1ccsc1
InChIInChI=1S/C6H7NOS2/c7-6(8)5(9)4-1-2-10-3-4/h1-3,5,9H,(H2,7,8)
InChIKeyQUQPPLRKWPPYAS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.20
Rot. Bonds2

About 2-sulfanyl-2-thiophen-3-ylacetamide

2-sulfanyl-2-thiophen-3-ylacetamide (PubChem CID 174314664) has the molecular formula C6H7NOS2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-sulfanyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-sulfanyl-2-thiophen-3-ylacetamide
PubChem CID174314664
Molecular FormulaC6H7NOS2
Molecular Weight173.26 g/mol
Exact Mass173.00
IUPAC Name2-sulfanyl-2-thiophen-3-ylacetamide
SMILESNC(=O)C(S)c1ccsc1
InChIInChI=1S/C6H7NOS2/c7-6(8)5(9)4-1-2-10-3-4/h1-3,5,9H,(H2,7,8)
InChIKeyQUQPPLRKWPPYAS-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2-thiophen-3-ylacetamide?
The IUPAC name of 2-sulfanyl-2-thiophen-3-ylacetamide (CID 174314664) is 2-sulfanyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-sulfanyl-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-sulfanyl-2-thiophen-3-ylacetamide is NC(=O)C(S)c1ccsc1.
What is the InChIKey of 2-sulfanyl-2-thiophen-3-ylacetamide?
The InChIKey is QUQPPLRKWPPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS2/c7-6(8)5(9)4-1-2-10-3-4/h1-3,5,9H,(H2,7,8).
What are the key properties of 2-sulfanyl-2-thiophen-3-ylacetamide?
2-sulfanyl-2-thiophen-3-ylacetamide has a molecular weight of 173.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 174314664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).