2-AMINO-5-(4-BROMOPHENYL)-1,3,4-THIADIAZOLE

The 1,3,4-Thiadiazol-2-amine,5-(4-bromophenyl)-, with CAS registry number 13178-12-6, belongs to the following product categories: (1)Amines; (2)Oxadiazoles & Thiadiazoles; (3)Building Blocks; (4)Halogenated Heterocycles; (5)Heterocyclic Building Blocks; (6)Thiadiazoles; (7)ThiadiazolesHeterocyclic Building Blocks. It has the systematic name of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine. And the chemical formula of this chemical is C₈H₆BrN₃S.

Physical properties of 1,3,4-Thiadiazol-2-amine,5-(4-bromophenyl)-: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.41; (6)ACD/BCF (pH 7.4): 106.46; (7)ACD/KOC (pH 5.5): 982.83; (8)ACD/KOC (pH 7.4): 983.24; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.26 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 57.33 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 22.73×10^-24cm³; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.717 g/cm³; (19)Flash Point: 196.4 °C; (20)Enthalpy of Vaporization: 65.2 kJ/mol; (21)Boiling Point: 401.1 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,3,4-Thiadiazol-2-amine,5-(4-bromophenyl)- 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1nnc(s1)N)cc2
(2)InChI: InChI=1/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
(3)InChIKey: KNFZBJVESBZZMI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
(5)Std. InChIKey: KNFZBJVESBZZMI-UHFFFAOYSA-N