N-(2-fluorophenyl)-2-sulfanylacetamide

C8H8FNOS — CID 574212

IUPACN-(2-fluorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccccc1F
InChIInChI=1S/C8H8FNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyMNAXYMUIFJTWNH-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.69
Rot. Bonds2

About N-(2-fluorophenyl)-2-sulfanylacetamide

N-(2-fluorophenyl)-2-sulfanylacetamide (PubChem CID 574212) has the molecular formula C8H8FNOS and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-sulfanylacetamide
PubChem CID574212
Molecular FormulaC8H8FNOS
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC NameN-(2-fluorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccccc1F
InChIInChI=1S/C8H8FNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyMNAXYMUIFJTWNH-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(2-fluorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-sulfanylacetamide (CID 574212) is N-(2-fluorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-sulfanylacetamide?
The InChIKey is MNAXYMUIFJTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11).
What are the key properties of N-(2-fluorophenyl)-2-sulfanylacetamide?
N-(2-fluorophenyl)-2-sulfanylacetamide has a molecular weight of 185.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 574212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).