Dibenzyldithiocarbamate supplier

Name
dibenzyldithiocarbamate
EINECS
CAS No. 99-22-9
Article Data5
CAS DataBase
Density 1.211g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅NS₂
Boiling Point 408.3 °Cat760mmHg
Molecular Weight 273.423
Flash Point 200.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dibenzyldithiocarbamic acid;Carbamicacid, dibenzyldithio- (7CI,8CI);Carbamodithioic acid, bis(phenylmethyl)-(9CI);
PSA 74.13000
LogP 3.90350

Dibenzyldithiocarbamate Specification

This chemical is called Dibenzyldithiocarbamate, and its IUPAC name is dibenzylcarbamodithioic acid. With the molecular formula of C₁₅H₁₅NS₂, its molecular weight is 273.4163. The CAS registry number of this chemical is 99-22-9. Additionally, it's used for analysis of metals.

Other characteristics of the Dibenzyldithiocarbamate can be summarised as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.63 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 83.82 cm³; (15)Molar Volume: 225.7 cm³; (16)Polarizability: 33.23×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.211 g/cm³; (19)Flash Point: 200.8 °C; (20)Enthalpy of Vaporization: 66.03 kJ/mol; (21)Boiling Point: 408.3 °C at 760 mmHg; (22)Vapour Pressure: 7.06E-07 mmHg at 25°C

You can still convert the following datas into molecular structure:
1.SMILES: S=C(S)N(Cc1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C15H15NS2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
3.InChIKey: PCERBVBQNKZCFS-UHFFFAOYAX

Product Name

dibenzyldithiocarbamate

Dibenzyldithiocarbamate Specification

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