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

C10H11BrO2S — CID 23156709

IUPAC2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane
SMILESBrc1ccccc1SCC1OCCO1
InChIInChI=1S/C10H11BrO2S/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyXFTUUSIOVDISMX-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.91
Rot. Bonds3

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

2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane (PubChem CID 23156709) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane
PubChem CID23156709
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane
SMILESBrc1ccccc1SCC1OCCO1
InChIInChI=1S/C10H11BrO2S/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyXFTUUSIOVDISMX-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane?
The IUPAC name of 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane (CID 23156709) is 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane is Brc1ccccc1SCC1OCCO1.
What is the InChIKey of 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane?
The InChIKey is XFTUUSIOVDISMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,10H,5-7H2.
What are the key properties of 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane?
2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane has a molecular weight of 275.17 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfanylmethyl]-1,3-dioxolane is sourced from PubChem (CID 23156709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).