5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol

Base Information

• Chemical Name: 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol
• CAS No.: 175202-84-3
• Molecular Formula: C8H9 Br N4 O S
• Molecular Weight: 289.15
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60381185
• Wikidata: Q82171851
• ChEMBL ID: CHEMBL4517478
• Mol file: 175202-84-3.mol

Synonyms:175202-84-3;5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol;5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3H-1,3,4-oxadiazole-2-thione;5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1,3,4-oxadiazole-2-thiol;1,3,4-Oxadiazole-2(3H)-thione, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-;HMS555G11;Maybridge1_004895;1,3,4-Oxadiazole-2(3H)-thione,5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-;CHEMBL4517478;DTXSID60381185;KPWNHJXAVOVBHW-UHFFFAOYSA-N;MFCD00052137;AKOS015908489;AS-9072;CCG-248450;KM 04636;CS-0333849;FT-0619870;5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione

Chemical Property of 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 3.62E-05mmHg at 25°C
• Melting Point: 194 °C
• Boiling Point: 353.3°Cat760mmHg
• Flash Point: 167.5°C
• PSA: 95.54000
• Density: 1.86g/cm³
• LogP: 1.98240
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 287.96804
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

98%Min ^*data from raw suppliers

5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1CC2=NNC(=S)O2)C)Br