2-(2-bromophenyl)sulfanylethanol

C8H9BrOS — CID 2757168

IUPAC2-(2-bromophenyl)sulfanylethanol
SMILESOCCSc1ccccc1Br
InChIInChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyIQSSYWVFPQBQLS-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.53
Rot. Bonds3

About 2-(2-bromophenyl)sulfanylethanol

2-(2-bromophenyl)sulfanylethanol (PubChem CID 2757168) has the molecular formula C8H9BrOS and a molecular weight of 233.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanylethanol
PubChem CID2757168
Molecular FormulaC8H9BrOS
Molecular Weight233.13 g/mol
Exact Mass231.96
IUPAC Name2-(2-bromophenyl)sulfanylethanol
SMILESOCCSc1ccccc1Br
InChIInChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyIQSSYWVFPQBQLS-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanylethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanylethanol (CID 2757168) is 2-(2-bromophenyl)sulfanylethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanylethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanylethanol is OCCSc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanylethanol?
The InChIKey is IQSSYWVFPQBQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(2-bromophenyl)sulfanylethanol?
2-(2-bromophenyl)sulfanylethanol has a molecular weight of 233.13 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanylethanol is sourced from PubChem (CID 2757168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).