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14779-16-9

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Basic Information
CAS No.: 14779-16-9
Name: 2-IMINO-3-METHYLBENZOTHIAZOLE
Article Data: 24
Molecular Structure:
Molecular Structure of 14779-16-9 (2-IMINO-3-METHYLBENZOTHIAZOLE)
Formula: C8H8N2S
Molecular Weight: 164.231
Synonyms: Benzothiazoline,2-imino-3-methyl- (6CI,8CI);2-Imino-3-methylbenzothiazoline;3-Methyl-2-benzothiazolinimine;3-Methyl-2-iminobenzothiazoline;3-Methylbenzothiazol-2-imine;3-Methylbenzothiazolone imine;
EINECS: 238-845-4
Density: 1.31 g/cm3
Boiling Point: 266.954 °C at 760 mmHg
Flash Point: 115.25 °C
PSA: 57.02000
LogP: 1.81900
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Specification

This chemical is called 2(3H)-Benzothiazolimine,3-methyl-, and its IUPAC name is 3-methyl-1,3-benzothiazol-2-imine. With the molecular formula of C8H8N2S, its molecular weight is 164.23. The CAS registry number of this chemical is 14779-16-9.

Other characteristics of the 2(3H)-Benzothiazolimine,3-methyl- can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.39 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 47.808 cm3; (15)Molar Volume: 125.391 cm3; (16)Polarizability: 18.953×10-24cm3; (17)Surface Tension: 52.109 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 115.25 °C; (20)Enthalpy of Vaporization: 50.496 kJ/mol; (21)Boiling Point: 266.954 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
1.SMILES: CN1c2ccccc2SC1=N
2.InChI: InChI=1/C8H8N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,9H,1H3
3.InChIKey: VYFQTZSQRZCAGR-UHFFFAOYAA