Basic information
- CAS
107811-08-5- Standard SMILES
CC(C)c1nnc(NC(=O)CCC(=O)O)s1- InChIKey
CEKLMAPAJFPHMI-UHFFFAOYSA-N- Molecular formula
- C9H13N3O3S
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.06776246
Names & identifiers
- Preferred name
- Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
- English name
- Butanoic acid, 4-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-
- Molecular formula
- C9H13N3O3S
- Molecular weight
- 243.28
Names & synonyms
107811-08-5Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)succinamic acidDTXSID60148250Butanoic acid, 4-((5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-4-oxo-RefChem:382339DTXCID90707413-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoic acid4-Oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoic acid3-([5-(Propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl)propanoic acidN-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-succinamic acid
Show more names
Butanoic acid, 4-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-
CEKLMAPAJFPHMI-UHFFFAOYSA-NHEA81108SBB040541AKOS000268829EN300-110661G27394SR-01000113926SR-01000113926-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 4.26 · 4.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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