methylsulfanylmethylsulfonylbenzene

C8H10O2S2 — CID 643313

IUPACmethylsulfanylmethylsulfonylbenzene
SMILESCSCS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10O2S2/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyXBGGZYQBIQAYII-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.78
Rot. Bonds3

About methylsulfanylmethylsulfonylbenzene

methylsulfanylmethylsulfonylbenzene (PubChem CID 643313) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methylsulfanylmethylsulfonylbenzene.

Molecular Properties

Compound Namemethylsulfanylmethylsulfonylbenzene
PubChem CID643313
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Namemethylsulfanylmethylsulfonylbenzene
SMILESCSCS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10O2S2/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyXBGGZYQBIQAYII-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylsulfonylbenzene?
The IUPAC name of methylsulfanylmethylsulfonylbenzene (CID 643313) is methylsulfanylmethylsulfonylbenzene.
What is the SMILES notation for methylsulfanylmethylsulfonylbenzene?
The canonical SMILES for methylsulfanylmethylsulfonylbenzene is CSCS(=O)(=O)c1ccccc1.
What is the InChIKey of methylsulfanylmethylsulfonylbenzene?
The InChIKey is XBGGZYQBIQAYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methylsulfanylmethylsulfonylbenzene?
methylsulfanylmethylsulfonylbenzene has a molecular weight of 202.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylsulfonylbenzene is sourced from PubChem (CID 643313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).