Basic information
- Standard SMILES
CSc1c(O)cccc1OCCCCNC(=O)OC(C)(C)C- InChIKey
YTGLNOGLRACIDH-UHFFFAOYSA-N- Molecular formula
- C16H25NO4S
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- [4-(3-Hydroxy-2-methylsulfanylphenoxy)-butyl]-carbamic Acid Tert-butyl Ester
- IUPAC
- tert-butyl N-[4-(3-hydroxy-2-methylsulfanylphenoxy)butyl]carbamate
Names & synonyms
SCHEMBL3920027YTGLNOGLRACIDH-UHFFFAOYSA-N[4-(3-Hydroxy-2-methylsulfanylphenoxy)-butyl]-carbamic Acid Tert-butyl Ester
Database identifiers
- PubChem CID
- 68839720
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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