1-{[3-(methoxymethyl)phenyl]sulfanyl}-N,N-dimethylformamide

• ChemBase ID: 284411
• Molecular Formular: C11H15NO2S
• Molecular Mass: 225.3073
• Monoisotopic Mass: 225.08234973
• SMILES: C(=O)(Sc1cc(COC)ccc1)N(C)C
• Canonical SMILES: COCc1cccc(c1)SC(=O)N(C)C
• InChI: InChI=1S/C11H15NO2S/c1-12(2)11(13)15-10-6-4-5-9(7-10)8-14-3/h4-7H,8H2,1-3H3
• InChIKey: LYFXWDASHQVANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(methoxymethyl)phenyl]sulfanyl}-N,N-dimethylformamide
• IUPAC Traditional name: 1-{[3-(methoxymethyl)phenyl]sulfanyl}-N,N-dimethylformamide
• Synonyms: 1-{[3-(methoxymethyl)phenyl]sulfanyl}-N,N-dimethylformamide

Database IDs

• MDL Number: MFCD21602456
• PubChem SID: 180669942
• PubChem CID: 73994635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0446446
• LogD (pH = 7.4): 2.0446446
• Log P: 2.0446446
• Molar Refractivity: 63.6709 cm^3
• Polarizability: 24.49074 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.675

Product Information

• Purity: 95%