Basic information
- Standard SMILES
COC(=O)CCC=NS(=O)C(C)(C)C- InChIKey
SMBRGAOUSWZDDV-UHFFFAOYSA-N- Molecular formula
- C9H17NO3S
- Average molar mass
- 219.3 g/mol
Names & identifiers
- Preferred name
- Methyl 4-((tert-butylsulfinyl)imino)butanoate
- IUPAC
- methyl 4-tert-butylsulfinyliminobutanoate
Names & synonyms
SCHEMBL4564713SCHEMBL4564714SMBRGAOUSWZDDV-UHFFFAOYSA-Nmethyl 4-((tert-butylsulfinyl)imino)butanoatemethyl 4-((tert-butylsulfinyl)imino)-butanoate
Database identifiers
- PubChem CID
- 86695623
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
4 records
Compound notes
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