4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid

Base Information

• Chemical Name: 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid
• CAS No.: 382597-97-9
• Molecular Formula: C7H8N3O3S-
• Molecular Weight: 214.2223
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70389738
• Wikidata: Q82185835
• ChEMBL ID: CHEMBL1565039
• Mol file: 382597-97-9.mol

Synonyms:382597-97-9;4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid;5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid;5-((1,3,4-Thiadiazol-2-yl)amino)-5-oxopentanoic acid;4-([1,3,4]thiadiazol-2-ylcarbamoyl)butyric acid;MLS000856578;CHEMBL1565039;DTXSID70389738;HMS1615J09;HMS2680K17;STK441637;STK942616;AKOS000300366;AKOS005671448;CCG-114854;SMR000274935;CS-0317916;FT-0644552;4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyricacid;5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate;A824086;AG-690/11629071;5-(1,3,4-thiadiazol-2-ylamino)-5-oxopentanoic acid;BRD-K50595307-001-08-6;5-((1,3,4-Thiadiazol-2-yl)amino)-5-oxopentanoicacid;5-oxo-5-[(2E)-1,3,4-thiadiazol-2(3H)-ylideneamino]pentanoic acid

Chemical Property of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 120.42000
• Density: g/cm³
• LogP: 0.80450
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 215.03646233
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN=C(S1)NC(=O)CCCC(=O)O