2-(4-bromophenyl)sulfanyloxane

C11H13BrOS — CID 22672749

IUPAC2-(4-bromophenyl)sulfanyloxane
SMILESBrc1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C11H13BrOS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
InChIKeyPZIGSLFZOYYUKE-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyloxane

2-(4-bromophenyl)sulfanyloxane (PubChem CID 22672749) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyloxane
PubChem CID22672749
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2-(4-bromophenyl)sulfanyloxane
SMILESBrc1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C11H13BrOS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
InChIKeyPZIGSLFZOYYUKE-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyloxane?
The IUPAC name of 2-(4-bromophenyl)sulfanyloxane (CID 22672749) is 2-(4-bromophenyl)sulfanyloxane.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyloxane?
The canonical SMILES for 2-(4-bromophenyl)sulfanyloxane is Brc1ccc(SC2CCCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyloxane?
The InChIKey is PZIGSLFZOYYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2.
What are the key properties of 2-(4-bromophenyl)sulfanyloxane?
2-(4-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-(4-bromophenyl)sulfanyloxane is sourced from PubChem (CID 22672749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).