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Cas Database |
| Name |
Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- |
EINECS | 257-901-9 |
| CAS No. | 52411-33-3 | Density | 1.26 g/cm3 |
| PSA | 102.64000 | LogP | 4.89780 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H16N2S2 | Boiling Point | 452.5 °C at 760 mmHg |
| Molecular Weight | 276.426 | Flash Point | 227.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aniline,2,2'-(ethylenedithio)di- (6CI);1,2-Bis(o-aminophenylthio)ethane;1,2-Bis[2-aminophenylthio]ethane;1,2-Di(o-aminophenylthio)ethane;2,2'-(Ethylenedithio)dianiline;Bis(o-Aminophenylthio)ethane;Cyanacure;CCRIS 3551;CCRIS 7519;2,2'-(Ethylenedithio)dianiline;BRN 2739761; |
Article Data | 25 |
Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Toxicity Data With Reference
| 1. | mmo-sat 100 µg/plate | CRNGDP Carcinogenesis. 10 (1989),2119. |
Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Consensus Reports
Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Safety Profile
Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Specification
The Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- with CAS registry number of 52411-33-3 is also known as 2,2'-(1,2-Ethanediylbis(thio))bisbenzenamine. The IUPAC name is 2-[2-(2-Aminophenyl)sulfanylethylsulfanyl]aniline. It belongs to product categories of Amines; Phenyls & Phenyl-Het. Its EINECS registry number is 257-901-9. In addition, the formula is C14H16N2S2 and the molecular weight is 276.42.
Physical properties about Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 18.85; (6)ACD/BCF (pH 7.4): 19.07; (7)ACD/KOC (pH 5.5): 283.76; (8)ACD/KOC (pH 7.4): 287.17; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 57.08Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 83.98 cm3; (15)Molar Volume: 217.8 cm3; (16)Polarizability: 33.29×10-24cm3; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 227.5 °C; (20)Enthalpy of Vaporization: 71.18 kJ/mol; (21)Boiling Point: 452.5 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-08 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: S(c1ccccc1N)CCSc2ccccc2N
2. InChI: InChI=1/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
3. InChIKey: BSYVFGQQLJNJJG-UHFFFAOYAL
4. Std. InChI: InChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
5. Std. InChIKey: BSYVFGQQLJNJJG-UHFFFAOYSA-N
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