2-Bromo-5-methyl-1,3,4-thiadazole supplier

Name
2-BROMO-5-METHYL-1,3,4-THIADIAZOLE
EINECS
CAS No. 54044-79-0
Article Data11
CAS DataBase
Density 1.83 g/cm³
Solubility
Melting Point 105-106℃
Formula C₃H₃BrN₂S
Boiling Point 242 °C at 760 mmHg
Molecular Weight 179.04
Flash Point 100.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 1,3,4-thiadiazole, 2-bromo-5-methyl-;2-BroMo-5-Methyl-1,3,4-thiadiazole 97%
PSA 54.02000
LogP 1.60900

2-Bromo-5-methyl-1,3,4-thiadazole Specification

The 2-Bromo-5-methyl-1,3,4-thiadazole, with the CAS registry number 54044-79-0, is also known as 1,3,4-Thiadiazole, 2-bromo-5-methyl- and 5-Bromo-2-methyl-1,3,4-thiadiazole. It belongs to the product categories of Halides; Oxadiazoles & Thiadiazoles. This chemical's molecular formula is C₃H₃BrN₂S and molecular weight is 179.0383.

Physical properties about 2-Bromo-5-methyl-1,3,4-thiadazole are: (1)ACD/LogP: 1.53; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 54.02 Å²; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 33.33 cm³; (9)Molar Volume: 97.8 cm³; (10)Surface Tension: 55.3 dyne/cm; (11)Density: 1.83 g/cm³; (12)Flash Point: 100.1 °C; (13)Enthalpy of Vaporization: 45.95 kJ/mol; (14)Boiling Point: 242 °C at 760 mmHg; (15)Vapour Pressure: 0.0541 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1nnc(s1)C
(2) InChI: InChI=1/C3H3BrN2S/c1-2-5-6-3(4)7-2/h1H3
(3) InChIKey: NSMKWTGDPQHTDH-UHFFFAOYAN

Product Name

2-BROMO-5-METHYL-1,3,4-THIADIAZOLE

2-Bromo-5-methyl-1,3,4-thiadazole Specification

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