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| CAS No.: | 99-22-9 |
|---|---|
| Name: | dibenzyldithiocarbamate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C15H15NS2 |
| Molecular Weight: | 273.423 |
| Synonyms: | Dibenzyldithiocarbamic acid;Carbamicacid, dibenzyldithio- (7CI,8CI);Carbamodithioic acid, bis(phenylmethyl)-(9CI); |
| Density: | 1.211g/cm3 |
| Boiling Point: | 408.3 °Cat760mmHg |
| Flash Point: | 200.8 °C |
| PSA: | 74.13000 |
| LogP: | 3.90350 |
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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