Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate supplier

Name
Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
EINECS
CAS No. 152300-56-6
Density 1.867g/cm³
Solubility
Melting Point
Formula C₄H₃BrN₂O₂S
Boiling Point 254.4 °C at 760 mmHg
Molecular Weight 223.05
Flash Point 107.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-1,2,5-thiadiazole-3-carboxylic acid methyl ester;methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate;1,2,5-Thiadiazole-3-carboxylic acid, 4-bromo-, methyl ester;
PSA 80.32000
LogP 1.08720

Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate Specification

The Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate with cas registry number of 152300-56-6, is also called 4-Bromo-1,2,5-thiadiazole-3-carboxylic acid methyl ester; 1,2,5-Thiadiazole-3-carboxylic acid, 4-bromo-, methyl ester.

Physical properties of Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.96; (6)ACD/BCF (pH 7.4): 1.96; (7)ACD/KOC (pH 5.5): 56.34; (8)ACD/KOC (pH 7.4): 56.34; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.32 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 40.28 cm³; (15)Molar Volume: 119.4 cm³; (16)Polarizability: 15.96×10^-24cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Enthalpy of Vaporization: 49.18 kJ/mol; (19)Vapour Pressure: 0.0173 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:Brc1nsnc1C(=O)OC; (2)InChI:InChI=1/C4H3BrN2O2S/c1-9-4(8)2-3(5)7-10-6-2/h1H3; (3)InChIKey:HJPUHNZGOZGRMJ-UHFFFAOYAA; (4)Std. InChI:InChI=1S/C4H3BrN2O2S/c1-9-4(8)2-3(5)7-10-6-2/h1H3; (5)Std. InChIKey:HJPUHNZGOZGRMJ-UHFFFAOYSA-N.

Product Name

Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate

Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate Specification

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