Basic information
- Standard SMILES
CCSC(=O)NCCOc1ccc(Oc2ccccc2)cc1- InChIKey
PJBNXEHKNXENDY-UHFFFAOYSA-N- Molecular formula
- C17H19NO3S
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 2-[(p-phenoxy)phenoxy]ethylthiocarbamic acid S-ethyl ester
- IUPAC
- S-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamothioate
Names & synonyms
SCHEMBL11434131PJBNXEHKNXENDY-UHFFFAOYSA-N2-[(p-phenoxy)phenoxy]ethylthiocarbamic acid S-ethyl ester
Database identifiers
- PubChem CID
- 12769697
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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