The 2(3H)-Benzothiazolethione,5-chloro-, with CAS registry number 5331-91-9, belongs to the following product categories: (1)Benzothiazole; (2)Oxazole & Isoxazole. It has the systematic name of 5-chloro-1,3-benzothiazole-2(3H)-thione. This chemical is a kind of light yellow to yellow-green granular powder. And the chemical formula of this chemical is C₇H₄ClNS₂. What's more, its EINECS is 226-235-0.

Physical properties of 2(3H)-Benzothiazolethione,5-chloro-: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 228.61; (6)ACD/BCF (pH 7.4): 221.44; (7)ACD/KOC (pH 5.5): 1699.01; (8)ACD/KOC (pH 7.4): 1645.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.63 Å²; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 52.93 cm³; (15)Molar Volume: 125.4 cm³; (16)Polarizability: 20.98×10^-24cm³; (17)Surface Tension: 81.3 dyne/cm; (18)Density: 1.6 g/cm³; (19)Flash Point: 155.3 °C; (20)Enthalpy of Vaporization: 57.61 kJ/mol; (21)Boiling Point: 333.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000138 mmHg at 25°C.

Uses of 2(3H)-Benzothiazolethione,5-chloro-: it can be used to produce 5-chloro-3H-benzothiazol-2-one. This reaction will need reagents KMnO₄, aqueous NaOH.

When you are using this chemical, please be cautious about it as the following:
The 2(3H)-Benzothiazolethione,5-chloro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(SC(=S)N1)cc2
(2)InChI: InChI=1/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
(3)InChIKey: NKYDKCVZNMNZCM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
(5)Std. InChIKey: NKYDKCVZNMNZCM-UHFFFAOYSA-N

The toxicity data is as follows: