Cas no 109340-63-8 (Phenanthrene,9-isothiocyanato-)
109340-63-8 structure
Product Name:Phenanthrene,9-isothiocyanato-
CAS No:109340-63-8
MF:C15H9NS
MW:235.303662061691
CID:166444
PubChem ID:122989
Update Time:2025-04-19
Phenanthrene,9-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,9-isothiocyanato-
- 9-Isothiocyanatophenanthrene
- 9-PHENANTHRYLISOTHIOCYANATE
- CCRIS 6851
- SCHEMBL11787347
- DTXSID40148899
- 109340-63-8
- UNII-I3JI95Z9S0
- 9-Phenanthryl isothiocyanate
- ISOTHIOCYANATOPHENANTHRENE, 9-
- I3JI95Z9S0
- ISOTHIOCYANIC ACID, 9-PHENANTHRYL ESTER
- PHENANTHRENE, 9-ISOTHIOCYANATO-
-
- Inchi： 1S/C15H9NS/c17-10-16-15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H
- InChI Key： YVWFRWJMJDWYMO-UHFFFAOYSA-N
- SMILES： S=C=NC1C=C2C=CC=CC2=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 235.04567
- Monoisotopic Mass: 235.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 5.6
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Density: 1.16
- Boiling Point: 439.5°Cat760mmHg
- Flash Point: 237.2°C
- Refractive Index: 1.658
- PSA: 12.36
- LogP: 4.72730
Phenanthrene,9-isothiocyanato- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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