N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide

• ChemBase ID: 267900
• Molecular Formular: C8H10N2OS
• Molecular Mass: 182.2428
• Monoisotopic Mass: 182.05138395
• SMILES: C(=O)(Sc1cnccc1)N(C)C
• Canonical SMILES: O=C(N(C)C)Sc1cccnc1
• InChI: InChI=1S/C8H10N2OS/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3
• InChIKey: LJUACVJOFBXXSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide
• IUPAC Traditional name: N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide
• Synonyms: N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide

Database IDs

• MDL Number: MFCD16547671
• PubChem SID: 164323810
• PubChem CID: 299059

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9385575
• LogD (pH = 7.4): 0.95103353
• Log P: 0.9511955
• Molar Refractivity: 49.9469 cm^3
• Polarizability: 19.231207 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%