methyl-methylimino-oxo-phenyl-λ6-sulfane

C8H11NOS — CID 25037842

IUPACmethyl-methylimino-oxo-phenyl-λ6-sulfane
SMILESCN=[S@@](C)(=O)c1ccccc1
InChIInChI=1S/C8H11NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m0/s1
InChIKeyOQWUXWSLVBGOIX-NSHDSACASA-N
MW169.25 g/mol
LogP1.77
Rot. Bonds1

About methyl-methylimino-oxo-phenyl-λ6-sulfane

methyl-methylimino-oxo-phenyl-λ6-sulfane (PubChem CID 25037842) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is methyl-methylimino-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namemethyl-methylimino-oxo-phenyl-λ6-sulfane
PubChem CID25037842
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Namemethyl-methylimino-oxo-phenyl-λ6-sulfane
SMILESCN=[S@@](C)(=O)c1ccccc1
InChIInChI=1S/C8H11NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m0/s1
InChIKeyOQWUXWSLVBGOIX-NSHDSACASA-N
XLogP1.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-methylimino-oxo-phenyl-λ6-sulfane?
The IUPAC name of methyl-methylimino-oxo-phenyl-λ6-sulfane (CID 25037842) is methyl-methylimino-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for methyl-methylimino-oxo-phenyl-λ6-sulfane?
The canonical SMILES for methyl-methylimino-oxo-phenyl-λ6-sulfane is CN=[S@@](C)(=O)c1ccccc1.
What is the InChIKey of methyl-methylimino-oxo-phenyl-λ6-sulfane?
The InChIKey is OQWUXWSLVBGOIX-NSHDSACASA-N. The full InChI is InChI=1S/C8H11NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m0/s1.
What are the key properties of methyl-methylimino-oxo-phenyl-λ6-sulfane?
methyl-methylimino-oxo-phenyl-λ6-sulfane has a molecular weight of 169.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylimino-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 25037842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).