Cas no 94255-53-5 (Chrysene,6-isothiocyanato-)
Chrysene,6-isothiocyanato- structure
Product Name:Chrysene,6-isothiocyanato-
CAS No:94255-53-5
MF:C19H11NS
MW:285.362343072891
CID:805629
PubChem ID:151989
Update Time:2025-04-19
Chrysene,6-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Chrysene,6-isothiocyanato-
- 6-CHRYSENYLISOTHIOCYANATE
- 6-Isothiocyanatochrysene
- DTXSID00241310
- 94255-53-5
- CCRIS 6853
- 6-Chrysenyl isothiocyanate
- CHRYSENE, 6-ISOTHIOCYANATO-
- YHH2L1HH7P
- UNII-YHH2L1HH7P
- ISOTHIOCYANATOCHRYSENE, 6-
-
- Inchi： 1S/C19H11NS/c21-12-20-19-11-18-14-6-2-1-5-13(14)9-10-16(18)15-7-3-4-8-17(15)19/h1-11H
- InChI Key： CIAHPHFXCYGAPB-UHFFFAOYSA-N
- SMILES： S=C=NC1C=C2C3C=CC=CC=3C=CC2=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 285.06122053g/mol
- Monoisotopic Mass: 285.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 427
- 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: 44.4?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Chrysene,6-isothiocyanato- Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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