2-(2-bromophenyl)sulfinylethanol

C8H9BrO2S — CID 143702620

IUPAC2-(2-bromophenyl)sulfinylethanol
SMILESO=S(CCO)c1ccccc1Br
InChIInChI=1S/C8H9BrO2S/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4,10H,5-6H2
InChIKeyDDCGQISOSBRYDN-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.55
Rot. Bonds3

About 2-(2-bromophenyl)sulfinylethanol

2-(2-bromophenyl)sulfinylethanol (PubChem CID 143702620) has the molecular formula C8H9BrO2S and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfinylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfinylethanol
PubChem CID143702620
Molecular FormulaC8H9BrO2S
Molecular Weight249.13 g/mol
Exact Mass247.95
IUPAC Name2-(2-bromophenyl)sulfinylethanol
SMILESO=S(CCO)c1ccccc1Br
InChIInChI=1S/C8H9BrO2S/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4,10H,5-6H2
InChIKeyDDCGQISOSBRYDN-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfinylethanol?
The IUPAC name of 2-(2-bromophenyl)sulfinylethanol (CID 143702620) is 2-(2-bromophenyl)sulfinylethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfinylethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfinylethanol is O=S(CCO)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfinylethanol?
The InChIKey is DDCGQISOSBRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2S/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(2-bromophenyl)sulfinylethanol?
2-(2-bromophenyl)sulfinylethanol has a molecular weight of 249.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfinylethanol is sourced from PubChem (CID 143702620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).