benzylsulfinylsulfanylmethylbenzene

C14H14OS2 — CID 10244468

IUPACbenzylsulfinylsulfanylmethylbenzene
SMILESO=S(Cc1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyVUJONJHZKSZFSA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.78
Rot. Bonds5

About benzylsulfinylsulfanylmethylbenzene

benzylsulfinylsulfanylmethylbenzene (PubChem CID 10244468) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is benzylsulfinylsulfanylmethylbenzene.

Molecular Properties

Compound Namebenzylsulfinylsulfanylmethylbenzene
PubChem CID10244468
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Namebenzylsulfinylsulfanylmethylbenzene
SMILESO=S(Cc1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyVUJONJHZKSZFSA-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.78
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 benzylsulfinylsulfanylmethylbenzene?
The IUPAC name of benzylsulfinylsulfanylmethylbenzene (CID 10244468) is benzylsulfinylsulfanylmethylbenzene.
What is the SMILES notation for benzylsulfinylsulfanylmethylbenzene?
The canonical SMILES for benzylsulfinylsulfanylmethylbenzene is O=S(Cc1ccccc1)SCc1ccccc1.
What is the InChIKey of benzylsulfinylsulfanylmethylbenzene?
The InChIKey is VUJONJHZKSZFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of benzylsulfinylsulfanylmethylbenzene?
benzylsulfinylsulfanylmethylbenzene has a molecular weight of 262.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfinylsulfanylmethylbenzene is sourced from PubChem (CID 10244468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).