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73437-03-3

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Basic Information
CAS No.: 73437-03-3
Name: 5-AMINO-3-METHYL-1,2-BENZISOTHIAZOLE
Article Data: 4
Molecular Structure:
Molecular Structure of 73437-03-3 (5-AMINO-3-METHYL-1,2-BENZISOTHIAZOLE)
Formula: C8H8N2S
Molecular Weight: 164.231
Synonyms: 5-Amino-3-methylbenzo[d]isothiazole;5-Amino-3-methylbenzisothiazole;5-Amino-3-methyl-1,2-benzisothiazole;1,2-Benzisothiazole,5-amino-3-methyl- (7CI);3-methyl-1,2-benzothiazol-5-amine;5-Amino-3-methyl-1,2-benzisothiazole;
Density: 1.315 g/cm3
Boiling Point: 246.2 °C at 760 mmHg
Flash Point: 102.7 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 67.15000
LogP: 2.76810
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Specification

The 1,2-Benzisothiazol-5-amine,3-methyl-, with the CAS registry number 73437-03-3, has the systematic name and IUPAC name of 3-methyl-1,2-benzothiazol-5-amine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C8H8N2S.

The characteristics of 1,2-Benzisothiazol-5-amine,3-methyl- are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 2.82; (6)ACD/BCF (pH 7.4): 11.08; (7)ACD/KOC (pH 5.5): 49.09; (8)ACD/KOC (pH 7.4): 192.52; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 49.63 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 19.67×10-24cm3; (17)Surface Tension: 63.1 dyne/cm; (18)Density: 1.315 g/cm3; (19)Flash Point: 102.7 °C; (20)Enthalpy of Vaporization: 48.33 kJ/mol; (21)Boiling Point: 246.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0275 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2sc1ccc(cc1c2C)N
(2)InChI: InChI=1/C8H8N2S/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3
(3)InChIKey: PRZFAGGNAKJNQW-UHFFFAOYAM