Cas no 597545-15-8 (1-isothiocyanato-2-propoxybenzene)
597545-15-8 structure
Product Name:1-isothiocyanato-2-propoxybenzene
CAS No:597545-15-8
MF:C10H11NOS
MW:193.265441179276
CID:950627
PubChem ID:5052566
Update Time:2025-04-19
1-isothiocyanato-2-propoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-isothiocyanato-2-propoxybenzene
- Benzene, 1-isothiocyanato-2-propoxy- (9CI)
- AKOS003211284
- 597545-15-8
- SCHEMBL11752394
- DB-325824
- BENZENE, 1-ISOTHIOCYANATO-2-PROPOXY-
- DTXSID80407831
-
- Inchi： 1S/C10H11NOS/c1-2-7-12-10-6-4-3-5-9(10)11-8-13/h3-6H,2,7H2,1H3
- InChI Key： SKMKIYHBMRUTHZ-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC=CC=1OCCC
Computed Properties
- Exact Mass: 193.05613515g/mol
- Monoisotopic Mass: 193.05613515g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 189
- 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: 4.2
- Topological Polar Surface Area: 53.7?2
1-isothiocyanato-2-propoxybenzene Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
597545-15-8 (1-isothiocyanato-2-propoxybenzene) Related Products
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