2-(4-bromophenyl)-2-sulfanylacetamide

C8H8BrNOS — CID 173431323

IUPAC2-(4-bromophenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNOS/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7,12H,(H2,10,11)
InChIKeyXQDCISUYLJJEAG-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-bromophenyl)-2-sulfanylacetamide

2-(4-bromophenyl)-2-sulfanylacetamide (PubChem CID 173431323) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-sulfanylacetamide
PubChem CID173431323
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name2-(4-bromophenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNOS/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7,12H,(H2,10,11)
InChIKeyXQDCISUYLJJEAG-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-sulfanylacetamide
CID 19419425
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
2-(4-bromophenyl)-2-cyanoacetamide
CID 122640537
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
2-amino-3-(4-bromophenyl)-3-(methylamino)propanoic acid
CID 116957325
2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
CID 173431236
2-(4-bromophenyl)-2-(2-hydroxyethylamino)acetamide
CID 54857240
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
2,3-diamino-3-(4-bromophenyl)propanoic acid
CID 116942182
3-(4-bromophenyl)pentane-2,4-dione
CID 14816158
1-(4-bromophenyl)propane-1-thiol
CID 43124141
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-sulfanylacetamide?
The IUPAC name of 2-(4-bromophenyl)-2-sulfanylacetamide (CID 173431323) is 2-(4-bromophenyl)-2-sulfanylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-sulfanylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-sulfanylacetamide is NC(=O)C(S)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-sulfanylacetamide?
The InChIKey is XQDCISUYLJJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7,12H,(H2,10,11).
What are the key properties of 2-(4-bromophenyl)-2-sulfanylacetamide?
2-(4-bromophenyl)-2-sulfanylacetamide has a molecular weight of 246.13 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 173431323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).