imino-methyl-oxo-phenyl-λ6-sulfane

C7H9NOS — CID 25036286

IUPACimino-methyl-oxo-phenyl-λ6-sulfane
SMILES[H]N=[S@](C)(=O)c1ccccc1
InChIInChI=1S/C7H9NOS/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8H,1H3/t10-/m1/s1
InChIKeyYFYIDTVGWCYSEO-SNVBAGLBSA-N
MW155.22 g/mol
LogP1.72
Rot. Bonds1

About imino-methyl-oxo-phenyl-λ6-sulfane

imino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 25036286) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is imino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID25036286
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Nameimino-methyl-oxo-phenyl-λ6-sulfane
SMILES[H]N=[S@](C)(=O)c1ccccc1
InChIInChI=1S/C7H9NOS/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8H,1H3/t10-/m1/s1
InChIKeyYFYIDTVGWCYSEO-SNVBAGLBSA-N
XLogP1.72
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze imino-methyl-oxo-phenyl-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-phenyl-λ6-sulfane (CID 25036286) is imino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-phenyl-λ6-sulfane is [H]N=[S@](C)(=O)c1ccccc1.
What is the InChIKey of imino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is YFYIDTVGWCYSEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8H,1H3/t10-/m1/s1.
What are the key properties of imino-methyl-oxo-phenyl-λ6-sulfane?
imino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 155.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 25036286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).