2-(benzenesulfinyl)ethylsulfinylbenzene

C14H14O2S2 — CID 6371710

IUPAC2-(benzenesulfinyl)ethylsulfinylbenzene
SMILESO=S(CCS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyCSZMCUCIIIAHQD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.60
Rot. Bonds5

About 2-(benzenesulfinyl)ethylsulfinylbenzene

2-(benzenesulfinyl)ethylsulfinylbenzene (PubChem CID 6371710) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(benzenesulfinyl)ethylsulfinylbenzene.

Molecular Properties

Compound Name2-(benzenesulfinyl)ethylsulfinylbenzene
PubChem CID6371710
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name2-(benzenesulfinyl)ethylsulfinylbenzene
SMILESO=S(CCS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyCSZMCUCIIIAHQD-UHFFFAOYSA-N
XLogP2.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)ethylsulfinylbenzene?
The IUPAC name of 2-(benzenesulfinyl)ethylsulfinylbenzene (CID 6371710) is 2-(benzenesulfinyl)ethylsulfinylbenzene.
What is the SMILES notation for 2-(benzenesulfinyl)ethylsulfinylbenzene?
The canonical SMILES for 2-(benzenesulfinyl)ethylsulfinylbenzene is O=S(CCS(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)ethylsulfinylbenzene?
The InChIKey is CSZMCUCIIIAHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-(benzenesulfinyl)ethylsulfinylbenzene?
2-(benzenesulfinyl)ethylsulfinylbenzene has a molecular weight of 278.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)ethylsulfinylbenzene is sourced from PubChem (CID 6371710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).