2-(2-bromophenyl)sulfanyloxane

C11H13BrOS — CID 18412761

IUPAC2-(2-bromophenyl)sulfanyloxane
SMILESBrc1ccccc1SC1CCCCO1
InChIInChI=1S/C11H13BrOS/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-2,5-6,11H,3-4,7-8H2
InChIKeyCJKQBEJRBDPCLQ-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.07
Rot. Bonds2

About 2-(2-bromophenyl)sulfanyloxane

2-(2-bromophenyl)sulfanyloxane (PubChem CID 18412761) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyloxane
PubChem CID18412761
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2-(2-bromophenyl)sulfanyloxane
SMILESBrc1ccccc1SC1CCCCO1
InChIInChI=1S/C11H13BrOS/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-2,5-6,11H,3-4,7-8H2
InChIKeyCJKQBEJRBDPCLQ-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyloxane 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-bromophenyl)sulfanyloxane?
The IUPAC name of 2-(2-bromophenyl)sulfanyloxane (CID 18412761) is 2-(2-bromophenyl)sulfanyloxane.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyloxane?
The canonical SMILES for 2-(2-bromophenyl)sulfanyloxane is Brc1ccccc1SC1CCCCO1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyloxane?
The InChIKey is CJKQBEJRBDPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-2,5-6,11H,3-4,7-8H2.
What are the key properties of 2-(2-bromophenyl)sulfanyloxane?
2-(2-bromophenyl)sulfanyloxane has a molecular weight of 273.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyloxane is sourced from PubChem (CID 18412761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).