Cas no 18859-13-7 (3-(3-phenoxypropoxy)benzenecarbothioamide)
18859-13-7 structure
Product Name:3-(3-phenoxypropoxy)benzenecarbothioamide
CAS No:18859-13-7
MF:C16H17NO2S
MW:287.37668299675
CID:907536
PubChem ID:3940965
Update Time:2025-04-19
3-(3-phenoxypropoxy)benzenecarbothioamide Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-phenoxypropoxy)benzenecarbothioamide
- NSC337824
- NSC-337824
- 18859-13-7
- DTXSID00398116
-
- Inchi： 1S/C16H17NO2S/c17-16(20)13-6-4-9-15(12-13)19-11-5-10-18-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H2,17,20)
- InChI Key： BWBJPQPQDVDLDX-UHFFFAOYSA-N
- SMILES： S=C(C1=CC=CC(=C1)OCCCOC1C=CC=CC=1)N
Computed Properties
- Exact Mass: 287.09811
- Monoisotopic Mass: 287.09799996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 292
- 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
- XLogP3: 3.4
- Topological Polar Surface Area: 76.6?2
Experimental Properties
- PSA: 44.48
3-(3-phenoxypropoxy)benzenecarbothioamide Related Literature
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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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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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