Basic information
- CAS
107779-28-2- Standard SMILES
COc1cc(N)ccc1OCCCCCSc1ccccc1- InChIKey
VUQTUYGZKQZJJK-UHFFFAOYSA-N- Molecular formula
- C18H23NO2S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.14495015
Names & identifiers
- Preferred name
- m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)-
- IUPAC
- 3-methoxy-4-(5-phenylsulfanylpentoxy)aniline
Names & synonyms
107779-28-2m-ANISIDINE, 4-((5-(PHENYLTHIO)PENTYL)OXY)-M & B 4996BRN 28156034-((5-(Phenylthio)pentyl)oxy)-m-anisidineDTXSID40148238RefChem:351502DTXCID10707293-Methoxy-4-((5-(phenylthio)pentyl)oxy)aniline3-methoxy-4-(5-phenylsulfanylpentoxy)anilinestarbld00128593-methoxy-4-{[5-(phenylsulfanyl)pentyl]oxy}aniline
Show more names
orb1985715AKOS040752929T33183
Database identifiers
- CAS
107779-28-2- PubChem CID
- 60195
- DTXSID
DTXSID40148238
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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