4-(1,2,3-Thiadiazol-4-yl)benzamide

Base Information

• Chemical Name: 4-(1,2,3-Thiadiazol-4-yl)benzamide
• CAS No.: 175205-53-5
• Molecular Formula: C9H7N3OS
• Molecular Weight: 205.24
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30372308
• Wikidata: Q82159952
• ChEMBL ID: CHEMBL1883440
• Mol file: 175205-53-5.mol

Synonyms:4-(1,2,3-thiadiazol-4-yl)benzamide;175205-53-5;4-(thiadiazol-4-yl)benzamide;Benzamide,4-(1,2,3-thiadiazol-4-yl)-;Benzamide, 4-(1,2,3-thiadiazol-4-yl)-;Maybridge1_007554;Oprea1_835079;MLS000860104;SCHEMBL1028065;CHEMBL1883440;HMS562P08;DTXSID30372308;HMS2799I03;CCG-53697;MFCD00173809;AKOS015911674;SDCCGMLS-0066240.P001;SMR000460883;WS-00909;CS-0333842;FT-0616440;D86476;SR-01000642847-1;BRD-K91882574-001-07-7

Chemical Property of 4-(1,2,3-Thiadiazol-4-yl)benzamide

Chemical Property:

• Vapor Pressure: 2.21E-07mmHg at 25°C
• Refractive Index: 1.648
• Boiling Point: 423.5 °C at 760 mmHg
• PKA: 15.23±0.50(Predicted)
• Flash Point: 210 °C
• PSA: 97.11000
• Density: 1.374 g/cm³
• LogP: 2.00430
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.03098303
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

98%min ^*data from raw suppliers

4-(1,2,3-thiadiazol-4-yl)benzamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSN=N2)C(=O)N