CAS No.4569-82-8,2-PHENYL-1,3-THIAZOLANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4569-82-8
Name:	2-PHENYL-1,3-THIAZOLANE
Article Data:	11

Formula:	C₉H₁₁N
Molecular Weight:	165.259
Synonyms:	2-Phenylthiazolidine;
Density:	1.113 g/cm³
Melting Point:	110-112 °C
Boiling Point:	300.1 °C at 760 mmHg
Flash Point:	135.3 °C
Hazard Symbols:	Xi
PSA:	37.33000
LogP:	2.35040

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Specification

The Thiazolidine, 2-phenyl-, with the CAS registry number of 4569-82-8, is also known as 2-Phenylthiazolidine. This chemical's molecular formula is C₉H₁₁NS and molecular weight is 165.26. What's more, its IUPAC name is 2-Phenyl-1, 3-thiazolidine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Thiazolidine, 2-phenyl- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.88; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 45.49; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.54 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 49.78 cm³; (15)Molar Volume: 148.4 cm³; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.113 g/cm³; (18)Flash Point: 135.3 °C; (19)Enthalpy of Vaporization: 54.01 kJ/mol; (20)Boiling Point: 300.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00115 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S2C(c1ccccc1)NCC2
(2) InChI: InChI=1/C9H11NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-10H,6-7H2
(3) InChIKey: NXOMVTLTYYYYPC-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1gm/kg (1000mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 149, 1978.