2-(4-bromophenyl)sulfanyl-1,4-dioxane

C10H11BrO2S — CID 162409004

IUPAC2-(4-bromophenyl)sulfanyl-1,4-dioxane
SMILESBrc1ccc(SC2COCCO2)cc1
InChIInChI=1S/C10H11BrO2S/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyZVDVTEQWCGMTCE-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyl-1,4-dioxane

2-(4-bromophenyl)sulfanyl-1,4-dioxane (PubChem CID 162409004) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1,4-dioxane.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1,4-dioxane
PubChem CID162409004
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name2-(4-bromophenyl)sulfanyl-1,4-dioxane
SMILESBrc1ccc(SC2COCCO2)cc1
InChIInChI=1S/C10H11BrO2S/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyZVDVTEQWCGMTCE-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-Bromophenyl)thio)ethanol
CID 203586
Allyl 4-bromophenyl sulfide
CID 232026
(4-Bromophenyl)(2,2-dimethoxyethyl)sulfane
CID 14175760
(4-Bromophenyl)(cyclohexyl)sulfane
CID 15728332
2-Phenylsulfanyl-1,4-dioxane
CID 67387380
4-(4-Bromophenyl)sulfanyl-1,3-dioxolan-2-one
CID 85808577
4-Bromo-2-fluoro-1-(2-methoxyethylsulfanyl)benzene
CID 70650647
1-Bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene
CID 90450969
3-((5-bromo-2-fluorophenyl)thio)tetrahydro-2H-pyran
CID 121364112
Ethyl 2-(4-bromophenylthio)acetate
CID 10778761
1-(4-Bromophenyl)sulfanylpropan-2-ol
CID 59805229
Ethyl (4-bromophenyl)sulfanylformate
CID 11572470

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1,4-dioxane?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1,4-dioxane (CID 162409004) is 2-(4-bromophenyl)sulfanyl-1,4-dioxane.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1,4-dioxane?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1,4-dioxane is Brc1ccc(SC2COCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1,4-dioxane?
The InChIKey is ZVDVTEQWCGMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-4,10H,5-7H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1,4-dioxane?
2-(4-bromophenyl)sulfanyl-1,4-dioxane has a molecular weight of 275.17 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1,4-dioxane is sourced from PubChem (CID 162409004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).