Cas no 5550-17-4 (3-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide)
5550-17-4 structure
Product Name:3-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
CAS No:5550-17-4
MF:C14H16ClN3OS
MW:309.814340591431
CID:1594261
PubChem ID:819250
Update Time:2025-04-21
3-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
- CBMicro_023464
- AB00088597-01
- 3-chloro-N-(4-methyl-1-piperazinyl)-1-benzothiophene-2-carboxamide
- DTXSID90970844
- 5550-17-4
- Oprea1_567295
- AKOS003858577
- CCG-11110
- Oprea1_319263
- Cambridge id 5550174
- BIM-0023673.P001
- 3-Chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboximidic acid
-
- Inchi： 1S/C14H16ClN3OS/c1-17-6-8-18(9-7-17)16-14(19)13-12(15)10-4-2-3-5-11(10)20-13/h2-5H,6-9H2,1H3,(H,16,19)
- InChI Key： PYSUUFZVYIRKHV-UHFFFAOYSA-N
- SMILES： ClC1C2C=CC=CC=2SC=1C(NN1CCN(C)CC1)=O
Computed Properties
- Exact Mass: 309.07048
- Monoisotopic Mass: 309.070261
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 362
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.8
- XLogP3: 3.2
Experimental Properties
- Density: 1.39
- Refractive Index: 1.685
- PSA: 35.58
3-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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