Cas no 17660-77-4 (Phenanthrene,9-(isothiocyanatomethyl)-)
17660-77-4 structure
Product Name:Phenanthrene,9-(isothiocyanatomethyl)-
CAS No:17660-77-4
MF:C16H11NS
MW:249.330242395401
CID:221615
PubChem ID:155595
Update Time:2025-04-19
Phenanthrene,9-(isothiocyanatomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,9-(isothiocyanatomethyl)-
- 9-PHENANTHRYLMETHYLISOTHIOCYANATE
- 9-(isothiocyanatomethyl)phenanthrene
- 17660-77-4
- 9-Phenanthrylmethyl isothiocyanate
- 567W4T82H2
- ISOTHIOCYANATOMETHYL)PHENANTHRENE, 9-(
- UNII-567W4T82H2
- DTXSID30170164
- CCRIS 6852
- PHENANTHRENE, 9-(ISOTHIOCYANATOMETHYL)-
-
- Inchi： 1S/C16H11NS/c18-11-17-10-13-9-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-9H,10H2
- InChI Key： PPXLSNLFTUJTLD-UHFFFAOYSA-N
- SMILES： S=C=NCC1C=C2C=CC=CC2=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 249.06133
- Monoisotopic Mass: 249.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 334
- 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: 5.7
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
Phenanthrene,9-(isothiocyanatomethyl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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