2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane

C11H13BrO2S — CID 165440811

IUPAC2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
SMILESBrc1ccccc1SCCC1OCCO1
InChIInChI=1S/C11H13BrO2S/c12-9-3-1-2-4-10(9)15-8-5-11-13-6-7-14-11/h1-4,11H,5-8H2
InChIKeyMGDBOGIQYRTURS-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.30
Rot. Bonds4

About 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane

2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane (PubChem CID 165440811) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
PubChem CID165440811
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
SMILESBrc1ccccc1SCCC1OCCO1
InChIInChI=1S/C11H13BrO2S/c12-9-3-1-2-4-10(9)15-8-5-11-13-6-7-14-11/h1-4,11H,5-8H2
InChIKeyMGDBOGIQYRTURS-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Bromophenyl)(2,2-dimethoxyethyl)sulfane
CID 14175760
(3-Bromophenyl)(2,2-diethoxyethyl)sulfane
CID 21816578
4-(4-Bromophenyl)sulfanyl-1,3-dioxolan-2-one
CID 85808577
2-Bromo-1-[(2,2-diethoxyethyl)thio]-4-fluorobenzene
CID 17929487
2-Bromo-1-(2,2-diethoxyethylsulfanyl)-3-fluorobenzene
CID 17929497
(2-Bromo-5-fluorophenyl)(2,2-diethoxyethyl)sulfane
CID 17929506
1-Bromo-2-(2,2-dimethoxyethylsulfanyl)-4-fluorobenzene
CID 68707810
(4-Bromo-3-fluorophenyl)(2,2-diethoxyethyl)sulfane
CID 90418081
2-Bromo-4-(2,2-diethoxyethylsulfanyl)-1-fluorobenzene
CID 90418680
4-Bromo-1-(2,2-diethoxyethylsulfanyl)-2-fluorobenzene
CID 90456713
(3-Bromo-4-fluorophenyl)-(1,3-dioxolan-2-ylmethyl)-imino-oxo-lambda6-sulfane
CID 135227079
2-[(3-Bromo-4-fluorophenyl)sulfanylmethyl]-1,3-dioxolane
CID 135227081

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane (CID 165440811) is 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane is Brc1ccccc1SCCC1OCCO1.
What is the InChIKey of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
The InChIKey is MGDBOGIQYRTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c12-9-3-1-2-4-10(9)15-8-5-11-13-6-7-14-11/h1-4,11H,5-8H2.
What are the key properties of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane has a molecular weight of 289.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane is sourced from PubChem (CID 165440811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).