benzenesulfinylbenzene

C12H10OS — CID 13679

IUPACbenzenesulfinylbenzene
SMILESO=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyJJHHIJFTHRNPIK-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.85
Rot. Bonds2

About benzenesulfinylbenzene

benzenesulfinylbenzene (PubChem CID 13679) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is benzenesulfinylbenzene.

Molecular Properties

Compound Namebenzenesulfinylbenzene
PubChem CID13679
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Namebenzenesulfinylbenzene
SMILESO=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyJJHHIJFTHRNPIK-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzenesulfinylbenzene?
The IUPAC name of benzenesulfinylbenzene (CID 13679) is benzenesulfinylbenzene.
What is the SMILES notation for benzenesulfinylbenzene?
The canonical SMILES for benzenesulfinylbenzene is O=S(c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfinylbenzene?
The InChIKey is JJHHIJFTHRNPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of benzenesulfinylbenzene?
benzenesulfinylbenzene has a molecular weight of 202.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinylbenzene is sourced from PubChem (CID 13679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).