Basic information
- CAS
797806-64-5- Standard SMILES
O=C(O)CCC(=O)Nc1nnc(C(F)(F)F)s1- InChIKey
PTYFZPOMQNHYHW-UHFFFAOYSA-N- Molecular formula
- C7H6F3N3O3S
- Average molar mass
- 269.2 g/mol
- Monoisotopic mass
- 269.00819672
Names & identifiers
- Preferred name
- N-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-succinamic acid
- IUPAC
- 4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid
- English name
- N-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-succinamic acid
- Molecular formula
- C7H6F3N3O3S
- Molecular weight
- 269.2
Names & synonyms
797806-64-5N-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-succinamic acid4-oxo-4-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)amino)butanoic acid4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoic acid4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acidSMR000009735MLS0000710603-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acidF1725-0052MFCD01232130BAS 00929185cid_655396
Show more names
Butanoic acid, 4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-
CHEMBL1399230BDBM55999DTXSID40349607HMS2290L15SMSSF-0042636AKOS000678098MS-2075SDCCGMLS-0025759.P002
Database identifiers
- CAS
797806-64-5- PubChem CID
- 655396
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Density
- 1.686 · 1.686±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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