2-[2-(2-bromophenyl)sulfanylethoxy]ethanol

C10H13BrO2S — CID 61074810

IUPAC2-[2-(2-bromophenyl)sulfanylethoxy]ethanol
SMILESOCCOCCSc1ccccc1Br
InChIInChI=1S/C10H13BrO2S/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12/h1-4,12H,5-8H2
InChIKeyYDHKTPRARFYFPH-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.55
Rot. Bonds6

About 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol

2-[2-(2-bromophenyl)sulfanylethoxy]ethanol (PubChem CID 61074810) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)sulfanylethoxy]ethanol
PubChem CID61074810
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name2-[2-(2-bromophenyl)sulfanylethoxy]ethanol
SMILESOCCOCCSc1ccccc1Br
InChIInChI=1S/C10H13BrO2S/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12/h1-4,12H,5-8H2
InChIKeyYDHKTPRARFYFPH-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol (CID 61074810) is 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol is OCCOCCSc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol?
The InChIKey is YDHKTPRARFYFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12/h1-4,12H,5-8H2.
What are the key properties of 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol?
2-[2-(2-bromophenyl)sulfanylethoxy]ethanol has a molecular weight of 277.18 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)sulfanylethoxy]ethanol is sourced from PubChem (CID 61074810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).