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. |
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