Cas no 2078-93-5 ( )
structure
Product Name:
CAS No:2078-93-5
MF:C17H15N3S
MW:293.386101961136
CID:910551
PubChem ID:4361324
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1-anilino-3-naphthalen-1-ylthiourea
- 4-[1]naphthyl-1-phenyl thiosemicarbazide
- 4-[1]Naphthyl-1-phenyl-thiosemicarbazid
- AC1N9IOT
- NSC406549
- N-(Naphthalen-1-yl)-2-phenylhydrazine-1-carbothioamide
- NSC-406549
- DTXSID40402362
- 2078-93-5
-
-
- Inchi： 1S/C17H15N3S/c21-17(20-19-14-9-2-1-3-10-14)18-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,19H,(H2,18,20,21)
- InChI Key： WDFWMHHYVKQJJU-UHFFFAOYSA-N
- SMILES： S=C(NNC1C=CC=CC=1)NC1=CC=CC2=CC=CC=C21
Computed Properties
- Exact Mass: 293.09885
- Monoisotopic Mass: 293.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 341
- 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: 3.9
- Topological Polar Surface Area: 68.2A^2
Experimental Properties
- Density: 1.329
- Boiling Point: 457.4°C at 760 mmHg
- Flash Point: 230.4°C
- Refractive Index: 1.793
- PSA: 36.09
- LogP: 4.69020
Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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