[(triphenylmethyl)sulfanyl]amine

• ChemBase ID: 138501
• Molecular Formular: C19H17NS
• Molecular Mass: 291.40998
• Monoisotopic Mass: 291.10817055
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)SN
• Canonical SMILES: NSC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17NS/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
• InChIKey: PIDYQAYNSQSDQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(triphenylmethyl)sulfanyl]amine
• IUPAC Traditional name: [(triphenylmethyl)sulfanyl]amine
• Synonyms: Triphenylmethanesulfenamide; 三苯基甲磺酰胺

Database IDs

• CAS Number: 38499-08-0
• MDL Number: MFCD00010451
• PubChem SID: 24856727; 162232756
• PubChem CID: 342377

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.205695
• LogD (pH = 7.4): 5.237297
• Log P: 5.2377152
• Molar Refractivity: 93.8245 cm^3
• Polarizability: 36.05157 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 128-130 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (C6H5)3CSNH2

DETAILS

Sigma Aldrich - 277010

Application
Reagent for the mild, reductive amination of carbonyl compounds.
Packaging
5 g in glass bottle