Imino-methyl-oxo-phenyl-lambda6-sulfane
CAS No.：
Cat. No.: SC22189
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Imino-methyl-oxo-phenyl-lambda6-sulfane
Cat. No.: :SC22189
Purity / Specification :—
CAS No. :4381-25-3
MDL No. :MFCD00051933
Molecular Formula :C7H9NOS
LogP :1.80
Molecular Weight :155.22
TPSA :49.3
Category :Building Blocks
HSN Code :—
SMILES Code :CS(=N)(=O)c1ccccc1
Melting Point :—
InChI Key : :YFYIDTVGWCYSEO-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 155.2 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i69/100
Moderate — typical building block
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.3Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.