Thioxanthen-9-ol, 9-(3-(dimethylamino)propyl)-2-((p-methoxybenzyl)oxy)-
Basic information
- CAS
31696-76-1- Standard SMILES
COc1ccc(COc2ccc3c(c2)C(O)(CCCN(C)C)c2ccccc2S3)cc1- InChIKey
KOXOZUVNFWDTGU-UHFFFAOYSA-N- Molecular formula
- C26H29NO3S
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.18681496
Names & identifiers
- Preferred name
- Thioxanthen-9-ol, 9-(3-(dimethylamino)propyl)-2-((p-methoxybenzyl)oxy)-
- IUPAC
- 9-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methoxy]thioxanthen-9-ol
Names & synonyms
BRN 133356831696-76-12-(4-Methoxybenzyloxy)-9-(3-dimethylaminopropyl)thioxanthene-9-ol9-(3-(Dimethylamino)propyl)-2-((p-methoxybenzyl)oxy)thioxanthen-9-olThioxanthen-9-ol, 9-(3-(dimethylamino)propyl)-2-((p-methoxybenzyl)oxy)-RefChem:385533DTXSID409536479-[3-(DIMETHYLAMINO)PROPYL]-2-[(4-METHOXYPHENYL)METHOXY]-9H-THIOXANTHEN-9-OL
Database identifiers
- CAS
31696-76-1- PubChem CID
- 208153
- DTXSID
DTXSID40953647
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 553
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Compound notes
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