Name: 2-(4-METHOXY-PHENYL)-THIAZOLIDINE
SKU: 31404-08-7

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Basic Information

Molecular Structure:
CAS No.:	31404-08-7
Name:	2-(4-METHOXY-PHENYL)-THIAZOLIDINE
Article Data:	3

Formula:	C₁₀H₁₃NOS
Molecular Weight:	195.285
Synonyms:	Thiazolidine,2-(p-methoxyphenyl)- (6CI,8CI);2-(4-Methoxyphenyl)-1,3-thiazolane;2-(4-Methoxyphenyl)thiazolidine;2-(p-Methoxyphenyl)thiazolidine;NSC 96378;2-(4-methoxyphenyl)-1,3-thiazolidine;Thiazolidine, 2-(4-methoxyphenyl)-;
Density:	1.132 g/cm³
Melting Point:	100-102
Boiling Point:	341.8 °C at 760 mmHg
Flash Point:	160.5 °C
Hazard Symbols:	Xi
PSA:	46.56000
LogP:	2.35900

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Specification

The Thiazolidine,2-(4-methoxyphenyl)-, with the CAS registry number 31404-08-7, has the systematic name of 2-(4-methoxyphenyl)-1,3-thiazolidine. It is a kind of irritant chemical, and the molecular formula of the chemical is C₁₀H₁₃NOS.

The characteristics of Thiazolidine,2-(4-methoxyphenyl)- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 36.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.77 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 56.46 cm³; (15)Molar Volume: 172.4 cm³; (16)Polarizability: 22.38×10^-24cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.132 g/cm³; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 7.84E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1)C2SCCN2)C
(2)InChI: InChI=1/C10H13NOS/c1-12-9-4-2-8(3-5-9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3
(3)InChIKey: OQFUUZFCTONCOU-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	800mg/kg (800mg/kg)		Farmaco, Edizione Scientifica. Vol. 36, Pg. 740, 1981.