CAS No.161715-27-1,3-Hydroxy-1-(1,3-thiazolin-2-yl)azetidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	161715-27-1
Name:	3-Hydroxy-1-(1,3-thiazolin-2-yl)azetidine
Article Data:	2

Formula:	C₆H₁₀N₂OS
Molecular Weight:	158.224
Synonyms:	3-Azetidinol, 1-(4,5-dihydro-2-thiazolyl)-;1-(4,5-Dihydrothiazol-2-yl)azetidin-3-ol;
Density:	1.595 g/cm³
Melting Point:	114-117℃
Boiling Point:	306.812 °C at 760 mmHg
Flash Point:	139.355 °C
PSA:	61.13000
LogP:	-0.86080

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Specification

The 3-Hydroxy-1-(1,3-thiazolin-2-yl)azetidine, with the CAS registry number 161715-27-1, is also known as 3-Azetidinol, 1-(4,5-dihydro-2-thiazolyl)-. This chemical's molecular formula is C₆H₁₀N₂OS and molecular weight is 158.22. What's more, its systematic name is 1-(4,5-Dihydrothiazol-2-yl)azetidin-3-ol.

Physical properties of 3-Hydroxy-1-(1,3-thiazolin-2-yl)azetidine are: (1)ACD/LogP: -0.684; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -1.58; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.13 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 40.767 cm³; (15)Molar Volume: 99.216 cm³; (16)Polarizability: 16.161×10^-24cm³; (17)Surface Tension: 68.52 dyne/cm; (18)Density: 1.595 g/cm³; (19)Flash Point: 139.355 °C; (20)Enthalpy of Vaporization: 63.477 kJ/mol; (21)Boiling Point: 306.812 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CSC(=N1)N2CC(C2)O
(2)Std. InChI: InChI=1S/C6H10N2OS/c9-5-3-8(4-5)6-7-1-2-10-6/h5,9H,1-4H2
(3)Std. InChIKey: SBRPTNRHTKKATC-UHFFFAOYSA-N