Basic information
- CAS
2949-95-3- Standard SMILES
CC(Cc1ccccc1)NCCC1c2ccccc2Sc2ccccc21- InChIKey
OSXOGVJHQHLKFO-UHFFFAOYSA-N- Molecular formula
- C24H25NS
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.17077098
Names & identifiers
- Preferred name
- Tixadil
- IUPAC
- 1-phenyl-N-[2-(9H-thioxanthen-9-yl)ethyl]propan-2-amine
- English name
- Tixadil
- Molecular formula
- C24H25NS
- Molecular weight
- 359.53
Names & synonyms
Tixadil2949-95-3Tixadil [INN]TixadilumUNII-4F4L1E450WBS-7561 FREE BASE4F4L1E450WB.S. 7561 [as hydrochloride]N-(alpha-Methylphenethyl)thioxanthen-9-ethylaminN-(alpha-Methylphenethyl)-N-(2-(9-thioxanthenyl)ethyl)aminN-(alpha-Methylphenethyl)thioxanthene-9-ethylamine9H-Thioxanthene-9-ethanamine, N-(1-methyl-2-phenylethyl)-
Show more names
Reaxys ID: 1437241N-(α-Methylphenethyl)-9H-thioxanthene-9-ethan-1-amine(1-methyl-2-phenyl-ethyl)-[2-(9H-thioxanthen-9-yl)ethyl]amine
N-(.ALPHA.-METHYLPHENETHYL)THIOXANTHENE-9-ETHYLAMINEB.S. 7561 (AS HYDROCHLORIDE)RefChem:190183N-(.ALPHA.-METHYLPHENETHYL)THIOXANTHENE-9-ETHYLAMINE, (+-)-N-(ALPHA-METHYLPHENETHYL)THIOXANTHENE-9-ETHYLAMINE, (+-)-(+-)-N-(.ALPHA.-METHYLPHENETHYL)THIOXANTHENE-9-ETHYLAMINEETHYLAMINE(+-)-N-(ALPHA-METHYLPHENETHYL)THIOXANTHENE-9-ETHYLAMINEETHYLAMINE1-phenyl-N-[2-(9H-thioxanthen-9-yl)ethyl]propan-2-amine
Database identifiers
- CAS
2949-95-3- PubChem CID
- 178145
- DTXSID
DTXSID30863064- ChEMBL
CHEMBL2107475- UNII
- 4F4L1E450W
- Nikkaji
- J7.947B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- FDA UNII
- 4 F4L1E450W · 4F4L1E450W
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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