Cas no 15037-53-3 (Piperidine,1-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-4-phenyl-, hydrochloride (1:1))
![Piperidine,1-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-4-phenyl-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/15500/15037-53-3x500.png)
15037-53-3 structure
Product Name:Piperidine,1-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-4-phenyl-, hydrochloride (1:1)
CAS No:15037-53-3
MF:C27H27Cl2NS
MW:468.480983972549
CID:193925
PubChem ID:6444655
Update Time:2025-04-19
Piperidine,1-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-4-phenyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Piperidine,1-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-4-phenyl-, hydrochloride (1:1)
- 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenylpiperidine,hydrochloride
- 2-Chloro-9-(3-(4-phenylpiperidino)propylidene)thioxanthene hydrochloride monohydrate, isomer
- Piperidine, 1-(3-(2-chlorothioxanthen-9-ylidene)propyl)-4-phenyl-, hydrochloride, hydrate, stereoisomer
- 15037-53-3
- DTXSID90164529
-
- Inchi： 1S/C27H26ClNS.ClH/c28-22-12-13-27-25(19-22)23(24-9-4-5-11-26(24)30-27)10-6-16-29-17-14-21(15-18-29)20-7-2-1-3-8-20;/h1-5,7-13,19,21H,6,14-18H2;1H/b23-10+;
- InChI Key： HMAMYYXNJMOPEX-CLGJSCMBSA-N
- SMILES： ClC1C=CC2=C(C=1)/C(/C1C=CC=CC=1S2)=C/CCN1CCC(C2C=CC=CC=2)CC1.Cl
Computed Properties
- Exact Mass: 467.12441
- Monoisotopic Mass: 467.1241264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 577
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 28.5?2
Experimental Properties
- PSA: 3.24
Piperidine,1-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-4-phenyl-, hydrochloride (1:1) Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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