CAS No.38205-66-2,Ethanone, 1-(4-thiazolyl)- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38205-66-2
Name:	Ethanone, 1-(4-thiazolyl)- (9CI)
Article Data:	13

Formula:	C₅H₅NOS
Molecular Weight:	127.167
Synonyms:	Methyl 4-thiazolyl ketone;4-Acetylthiazole;Ketone, methyl 4-thiazolyl;
Density:	1.226 g/cm³
Melting Point:	56 °C
Boiling Point:	220.4 °C at 760 mmHg
Flash Point:	87.1 °C
PSA:	58.20000
LogP:	1.34570

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Specification

The Ethanone,1-(4-thiazolyl)-, with the CAS registry number 38205-66-2, is also known as 4-Acetylthiazole. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₅H₅NOS and molecular weight is 127.1643. What's more, its systematic name is 1-(1,3-Thiazol-4-yl)ethanone.

Physical properties about Ethanone,1-(4-thiazolyl)-: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.67; (8)ACD/KOC (pH 7.4): 20.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 32.75 cm³; (15)Molar Volume: 103.6 cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.226 g/cm³; (18)Flash Point: 87.1 °C; (19)Enthalpy of Vaporization: 45.68 kJ/mol; (20)Boiling Point: 220.4 °C at 760 mmHg; (21)Vapour Pressure: 0.113 mmHg at 25 °C; (22)Melting point: 56 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ncsc1)C
(2) InChI: InChI=1/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
(3) InChIKey: SUCLFBXGJZQZEH-UHFFFAOYAF