CAS No.1830-32-6,azintamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1830-32-6
Name:	azintamide
Article Data:	5

Formula:	C₁₀H₁₄ClN₃OS
Molecular Weight:	259.76
Synonyms:	2-[(6-Chloro-3-pyridazinyl)thio]-N,N-diethylacetamide;Azinthiamide;Bilipurum;Biloral;Colerin;N,N-Diethyl(6-chloropyridazin-3-ylthio)acetamide;N,N-Diethyl-2-(3-chloro-6-pyridazinylthio)acetamide;NSC 291837;Oragal;Oragalin;Oragallin;Oragallin purum;ST 9067;
EINECS:	217-384-2
Density:	1.27g/cm³
Melting Point:	97.0 °C
Boiling Point:	435.265 °C at 760 mmHg
Flash Point:	217.041 °C
PSA:	71.39000
LogP:	2.09050

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Specification

The Acetamide,2-[(6-chloro-3-pyridazinyl)thio]-N,N-diethyl-, with the CAS registry number 1830-32-6, is also known as Azintamide. It belongs to the classification code of Drug / Therapeutic Agent. Its EINECS registry number is 217-384-2. This chemical's molecular formula is C₁₀H₁₄ClN₃OS and molecular weight is 259.76. What's more, both its IUPAC name and systematic name are the same which is called 2-(6-Chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide.

Physical properties about Acetamide,2-[(6-chloro-3-pyridazinyl)thio]-N,N-diethyl- are: (1)ACD/LogP: 1.718; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.91; (6)ACD/BCF (pH 7.4): 11.91; (7)ACD/KOC (pH 5.5): 205.03; (8)ACD/KOC (pH 7.4): 205.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.39 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 66.968 cm³; (15)Molar Volume: 203.206 cm³; (16)Surface Tension: 56.11 dyne/cm; (17)Density: 1.278 g/cm³; (18)Flash Point: 217.041 °C; (19)Enthalpy of Vaporization: 69.152 kJ/mol; (20)Boiling Point: 435.265 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnc(SCC(=O)N(CC)CC)cc1
(2) InChI: InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3
(3) InChIKey: SSLKKMZJCJBOML-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	700mg/kg (700mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
mouse	LD50	oral	1150mg/kg (1150mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
rat	LD50	intraperitoneal	540mg/kg (540mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
rat	LD50	oral	1550mg/kg (1550mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 266, 1964.