Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate
Basic information
- CAS
17564-99-7- Standard SMILES
CCCCS/C(C)=N/OC(=O)NC- InChIKey
KNXRVCYGOBGOPX-JXMROGBWSA-N- Molecular formula
- C8H16N2O2S
- Average molar mass
- 204.29 g/mol
- Monoisotopic mass
- 204.09324893
Names & identifiers
- Preferred name
- Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate
- IUPAC
- butyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Names & synonyms
Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate17564-99-7Ethanimidothioic acid, N-(((methylamino)carbonyl)oxy)-, butyl ester
Database identifiers
- CAS
17564-99-7- PubChem CID
- 9567828
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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