Basic information
- CAS
18859-13-7- Standard SMILES
NC(=S)c1cccc(OCCCOc2ccccc2)c1- InChIKey
BWBJPQPQDVDLDX-UHFFFAOYSA-N- Molecular formula
- C16H17NO2S
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.09799996
Names & identifiers
- Preferred name
- 3-(3-Phenoxypropoxy)benzenecarbothioamide
- IUPAC
- 3-(3-phenoxypropoxy)benzenecarbothioamide
Names & synonyms
18859-13-73-(3-phenoxypropoxy)benzenecarbothioamideNSC337824DTXSID00398116NSC-3378243-(3-Phenoxypropoxy)benzene-1-carbothioamide
Database identifiers
- CAS
18859-13-7- PubChem CID
- 3940965
- DTXSID
DTXSID00398116
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…