7-CHLORO-2-MERCAPTOBENZOXAZOLE 97

The 2(3H)-Benzoxazolethione,7-chloro-, with the IUPAC name 7-chloro-1,3-benzoxazole-2(3H)-thione, is light brown powder. With the molecular formula of C₇H₄ClNOS, its product categories are Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Oxazoles. The CAS registry number of this chemical is 51793-93-2. Additionally, it should be sealed in the cool and dry place.

Other characteristics of the 2(3H)-Benzoxazolethione,7-chloro- can be summarised as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.41; (6)ACD/BCF (pH 7.4): 54.35; (7)ACD/KOC (pH 5.5): 608.17; (8)ACD/KOC (pH 7.4): 607.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.56 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 46.66 cm³; (15)Molar Volume: 117.7 cm³; (16)Polarizability: 18.49×10^-24cm³; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 1.57 g/cm³; (19)Flash Point: 127.2 °C; (20)Enthalpy of Vaporization: 52.58 kJ/mol; (21)Boiling Point: 286.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0026 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2cccc1c2OC(=S)N1
2.InChI: InChI=1/C7H4ClNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)
3.InChIKey: XXRDNTGJMQMSLW-UHFFFAOYAR