2-(4-bromophenyl)sulfanylacetamide

C8H8BrNOS — CID 2201612

IUPAC2-(4-bromophenyl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyJANRZFAWSQOJTP-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.03
Rot. Bonds3

About 2-(4-bromophenyl)sulfanylacetamide

2-(4-bromophenyl)sulfanylacetamide (PubChem CID 2201612) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylacetamide
PubChem CID2201612
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name2-(4-bromophenyl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyJANRZFAWSQOJTP-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanylacetamide (CID 2201612) is 2-(4-bromophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanylacetamide is NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylacetamide?
The InChIKey is JANRZFAWSQOJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of 2-(4-bromophenyl)sulfanylacetamide?
2-(4-bromophenyl)sulfanylacetamide has a molecular weight of 246.13 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 2201612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).