Cas no 63759-68-2 (Thiocyanic acid, 4-(diethylamino)phenyl ester)
63759-68-2 structure
Product Name:Thiocyanic acid, 4-(diethylamino)phenyl ester
CAS No:63759-68-2
MF:C11H14N2S
MW:206.307260990143
CID:425802
PubChem ID:407020
Update Time:2025-04-19
Thiocyanic acid, 4-(diethylamino)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid, 4-(diethylamino)phenyl ester
- [4-(diethylamino)phenyl] thiocyanate
- DTXSID50328145
- 63759-68-2
-
- Inchi： 1S/C11H14N2S/c1-3-13(4-2)10-5-7-11(8-6-10)14-9-12/h5-8H,3-4H2,1-2H3
- InChI Key： SVMDBXQNDZXPND-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=CC(=CC=1)N(CC)CC
Computed Properties
- Exact Mass: 206.08792
- Monoisotopic Mass: 206.088
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 197
- 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: 3.3
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 27.03
Thiocyanic acid, 4-(diethylamino)phenyl ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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