3-(N-2-Thiazolylformimidoyl)indole supplier

Name
3-[N-(2-Thiazolyl)formimidoyl]-1H-indole
EINECS
CAS No. 22394-38-3
Article Data2
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₂H₉N₃S
Boiling Point 415.2 °C at 760 mmHg
Molecular Weight 227.29
Flash Point 204.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole,3-(N-2-thiazolylformimidoyl)- (8CI);
PSA 65.52000
LogP 2.82060

3-(N-2-Thiazolylformimidoyl)indole Specification

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,

Product Name

3-[N-(2-Thiazolyl)formimidoyl]-1H-indole

3-(N-2-Thiazolylformimidoyl)indole Specification

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