CAS No.73443-84-2,2-HYDROXY-4-METHYL-BENZOTHIOZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73443-84-2
Name:	2-HYDROXY-4-METHYL-BENZOTHIOZOLE

Formula:	C₈H₇NOS
Molecular Weight:	165.21
Synonyms:	4-Methyl-2(3H)-benzothiazolone;4-Methyl-3H-benzothiazol-2-one;4-methyl-1,3-benzothiazol-2(3H)-one;2-benzothiazolol, 4-methyl-;4-Methyl-1,3-benzothiazol-2-ol;
Density:	1.03 g/cm³
Boiling Point:	367.7 °C at 760 mmHg
Flash Point:	176.2 °C
Safety:	24/25
PSA:	61.36000
LogP:	2.31030

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Specification

The 2-Hydorxy-4-methylbenzothiazole, with the cas registry number 73443-84-2, has the systematic name of 4-methyl-1,3-benzothiazol-2(3H)-one. It belongs to the category of Benzothiazole. And the molecular formula of the chemical is C₈H₇NOS.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 384; (8)ACD/KOC (pH 7.4): 384; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.4 ?2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 45.669 cm³; (15)Molar Volume: 126.808 cm³; (16)Polarizability: 18.105×10^-24cm³; (17)Surface Tension: 49.576 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 176.2 °C; (20)Enthalpy of Vaporization: 63.84 kJ/mol; (21)Boiling Point: 367.7 °C at 760 mmHg; (22)Vapour Pressure: 6.34E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cccc2SC(=O)Nc12
(2)InChI: InChI=1/C8H7NOS/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
(3)InChIKey: MAIYZXCYLAJOFK-UHFFFAOYAC