Basic information
- CAS
17162-32-2- Standard SMILES
Cl.Cl.OCCCN1CCN(CCCC2c3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
WCSMSWYAHBNGDC-UHFFFAOYSA-N- Molecular formula
- C23H31Cl3N2OS
- Average molar mass
- 489.9 g/mol
- Monoisotopic mass
- 488.122268
Overview
See also: Xanthiol (annotation moved to).
Names & identifiers
- Preferred name
- Xanthiol hydrochloride
- IUPAC
- 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol;dihydrochloride
Names & synonyms
DaxidXANTHIOL HYDROCHLORIDEXanthiol HClUNII-DY0Q615ZBNDY0Q615ZBNNSC 78224NSC-78224S 9-8882-Chloro-9-(3-(4-(3-hydroxypropyl)piperazinyl)propyl)thioxanthene dihydrochloride4-(3-(2-Chlorothioxanthen-9-yl)propyl)-1-piperazinepropanol dihydrochloride2-Chloro-10-(3-(1-(3-hydroxypropyl)-4-piperazinyl)propyl)thiaxanthene dihydrochloride1-Piperazinepropanol, 4-(3-(2-chlorothioxanthen-9-yl)propyl)-, dihydrochloride
Show more names
1-Piperazinepropanol, 4-(3-(2-chloro-9H-thioxanthen-9-yl)propyl)-, dihydrochloride4-(3-(2-CHLORO-9H-THIOXANTHEN-9-YL)PROPYL)-1-PIPERAZINEPROPANOL DIHYDROCHLORIDERefChem:1951171-Piperazinepropanol, 4-(3-(2-chlorothioxanthen-9-yl)propyl)-, dihydrochloride (8CI)17162-32-2SCHEMBL3631799CHEMBL3989878Q27276665
Database identifiers
- CAS
17162-32-2- PubChem CID
- 28360
- ChEMBL
CHEMBL3989878- UNII
- DY0Q615ZBN
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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