Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(N-2-Thiazolylformimidoyl)indole |
EINECS | N/A |
CAS No. | 22394-38-3 | Density | 1.34 g/cm3 |
PSA | 65.52000 | LogP | 2.82060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H9N3S | Boiling Point | 415.2 °C at 760 mmHg |
Molecular Weight | 227.29 | Flash Point | 204.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Indole,3-(N-2-thiazolylformimidoyl)- (8CI); |
Article Data | 2 |
This chemical is called 3-(N-2-Thiazolylformimidoyl)indole, and it can also be named as Indole, 3-(N-2-thiazolylformimidoyl)-. With the molecular formula of C12H9N3S, its molecular weight is 227.30. The CAS registry number of this chemical is 22394-38-3.
Other characteristics of the 3-(N-2-Thiazolylformimidoyl)indole can be summarised as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.92; (7)ACD/KOC (pH 5.5): 6.85; (8)ACD/KOC (pH 7.4): 20.67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.73 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 67.17 cm3; (15)Molar Volume: 168.8 cm3; (16)Polarizability: 26.62×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 204.9 °C; (20)Enthalpy of Vaporization: 66.83 kJ/mol; (21)Boiling Point: 415.2 °C at 760 mmHg; (22)Vapour Pressure: 4.19E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccsc1N/C=C2\C=N/c3ccccc23
2.InChI: InChI=1/C12H9N3S/c1-2-4-11-10(3-1)9(7-14-11)8-15-12-13-5-6-16-12/h1-8H,(H,13,15)/b9-8+
3.InChIKey: PRTNCQMOBODVPV-CMDGGOBGBX
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01009, |