[methyl(methylsulfanylsulfinyl)amino]benzene

C8H11NOS2 — CID 100915343

IUPAC[methyl(methylsulfanylsulfinyl)amino]benzene
SMILESCSS(=O)N(C)c1ccccc1
InChIInChI=1S/C8H11NOS2/c1-9(12(10)11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyUPUXTEKVKYARPJ-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.06
Rot. Bonds3

About [methyl(methylsulfanylsulfinyl)amino]benzene

[methyl(methylsulfanylsulfinyl)amino]benzene (PubChem CID 100915343) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is [methyl(methylsulfanylsulfinyl)amino]benzene.

Molecular Properties

Compound Name[methyl(methylsulfanylsulfinyl)amino]benzene
PubChem CID100915343
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name[methyl(methylsulfanylsulfinyl)amino]benzene
SMILESCSS(=O)N(C)c1ccccc1
InChIInChI=1S/C8H11NOS2/c1-9(12(10)11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyUPUXTEKVKYARPJ-UHFFFAOYSA-N
XLogP2.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.06
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 [methyl(methylsulfanylsulfinyl)amino]benzene?
The IUPAC name of [methyl(methylsulfanylsulfinyl)amino]benzene (CID 100915343) is [methyl(methylsulfanylsulfinyl)amino]benzene.
What is the SMILES notation for [methyl(methylsulfanylsulfinyl)amino]benzene?
The canonical SMILES for [methyl(methylsulfanylsulfinyl)amino]benzene is CSS(=O)N(C)c1ccccc1.
What is the InChIKey of [methyl(methylsulfanylsulfinyl)amino]benzene?
The InChIKey is UPUXTEKVKYARPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-9(12(10)11-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of [methyl(methylsulfanylsulfinyl)amino]benzene?
[methyl(methylsulfanylsulfinyl)amino]benzene has a molecular weight of 201.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(methylsulfanylsulfinyl)amino]benzene is sourced from PubChem (CID 100915343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).