Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester
Basic information
- CAS
107811-13-2- Standard SMILES
C=CCOC(=O)CCC(=O)Nc1nncs1- InChIKey
RKKXWBHYXFJQHG-UHFFFAOYSA-N- Molecular formula
- C9H11N3O3S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.05211239
Names & identifiers
- Preferred name
- Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester
- IUPAC
- prop-2-enyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Names & synonyms
Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl esterN-(1,3,4-Thiadiazol-2-yl)succinamic acid allyl ester107811-13-2DTXSID00148254Butanoic acid, 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)-, 2-propenyl esterRefChem:382335DTXCID9070745Prop-2-en-1-yl 4-oxo-4-[(1,3,4-thiadiazol-2-yl)amino]butanoate
Database identifiers
- CAS
107811-13-2- PubChem CID
- 3065348
- DTXSID
DTXSID00148254
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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