benzylsulfinylsulfinylmethylbenzene

C14H14O2S2 — CID 13107252

IUPACbenzylsulfinylsulfinylmethylbenzene
SMILESO=S(Cc1ccccc1)S(=O)Cc1ccccc1
InChIInChI=1S/C14H14O2S2/c15-17(11-13-7-3-1-4-8-13)18(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyWAXJLAYABKTQHL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.80
Rot. Bonds5

About benzylsulfinylsulfinylmethylbenzene

benzylsulfinylsulfinylmethylbenzene (PubChem CID 13107252) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is benzylsulfinylsulfinylmethylbenzene.

Molecular Properties

Compound Namebenzylsulfinylsulfinylmethylbenzene
PubChem CID13107252
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Namebenzylsulfinylsulfinylmethylbenzene
SMILESO=S(Cc1ccccc1)S(=O)Cc1ccccc1
InChIInChI=1S/C14H14O2S2/c15-17(11-13-7-3-1-4-8-13)18(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyWAXJLAYABKTQHL-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzylsulfinylsulfinylmethylbenzene?
The IUPAC name of benzylsulfinylsulfinylmethylbenzene (CID 13107252) is benzylsulfinylsulfinylmethylbenzene.
What is the SMILES notation for benzylsulfinylsulfinylmethylbenzene?
The canonical SMILES for benzylsulfinylsulfinylmethylbenzene is O=S(Cc1ccccc1)S(=O)Cc1ccccc1.
What is the InChIKey of benzylsulfinylsulfinylmethylbenzene?
The InChIKey is WAXJLAYABKTQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c15-17(11-13-7-3-1-4-8-13)18(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of benzylsulfinylsulfinylmethylbenzene?
benzylsulfinylsulfinylmethylbenzene has a molecular weight of 278.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfinylsulfinylmethylbenzene is sourced from PubChem (CID 13107252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).