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Benzenemethanesulfenamide,a,a-diphenyl-

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Name

Benzenemethanesulfenamide,a,a-diphenyl-

EINECS N/A
CAS No. 38499-08-0 Density 1.163 g/cm3
PSA 51.32000 LogP 5.28570
Solubility N/A Melting Point 128-130 °C(lit.)
Formula C19H17NS Boiling Point 437.9 °C at 760 mmHg
Molecular Weight 291.417 Flash Point 218.6 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 38499-08-0 (TRIPHENYLMETHANESULFENAMIDE) Hazard Symbols IrritantXi
Synonyms

NSC378985;Triphenylmethanesulfenamide;Triphenylmethanesulfonamide;Triphenylmethanesulphenamide;

Article Data 3

Benzenemethanesulfenamide,a,a-diphenyl- Specification

The CAS register number of Benzenemethanesulfenamide,a,a-diphenyl- is 38499-08-0. It also can be called as Triphenylmethanesulfenamide and the IUPAC name about this chemical is S-tritylthiohydroxylamine. The molecular formula about this chemical is C19H17NS and the molecular weight is 291.41. It belongs to the following product categories which include Organic Building Blocks; Others; Sulfur Compounds and so on.

Physical properties about Benzenemethanesulfenamide,a,a-diphenyl- are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1  ; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 28.54 Å2; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 91.06 cm3; (9)Molar Volume: 250.4 cm3; (10)Polarizability: 36.1x10-24cm3; (11)Surface Tension: 49.4 dyne/cm; (12)Density: 1.163 g/cm3; (13)Flash Point: 218.6 °C; (14)Enthalpy of Vaporization: 69.46 kJ/mol; (15)Boiling Point: 437.9 °C at 760 mmHg; (16)Vapour Pressure: 7.19E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by triphenyl-methanesulfenyl chloride. This reaction will need reagents of diethyl ether, ammonia.

Benzenemethanesulfenamide,a,a-diphenyl- can be prepared by triphenyl-methanesulfenyl chloride.

Uses of Benzenemethanesulfenamide,a,a-diphenyl-: it can be used to produce 3-Methylcyclohexenone tritylsulfenimine with 3-methyl-cyclohex-2-enone. This reaction will need reagents of 3-Angstroem molecular sieves, CaH2; Pyridinium p-toluenesulfonate, (PPTS)/anhydr. MgSO4 and solvent of CH2Cl2. This reaction needs heating and the reaction time is 3 days. The yield is about 44%.

Benzenemethanesulfenamide,a,a-diphenyl- can be used to produce 3-Methylcyclohexenone tritylsulfenimine with 3-methyl-cyclohex-2-enone.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S(N)C(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/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
(3)InChIKey: PIDYQAYNSQSDQY-UHFFFAOYAH
(4)Std. 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
(5)Std. InChIKey: PIDYQAYNSQSDQY-UHFFFAOYSA-N

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