Cas no 78374-90-0 ( )
structure
Product Name:
CAS No:78374-90-0
MF:C17H16N2OS
MW:296.386742591858
CID:984184
PubChem ID:786679
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- (E)-N-(benzylcarbamothioyl)-3-phenylprop-2-enamide
- 1-(Benzylamino)but-3-ene
- AC1N9T6Z
- benzyl(but-3-en-1-yl)amine
- benzylbutenylamine
- but-3-enylbenzylamine
- N-(But-3-en-1-yl)
- N-benzyl-3-buten-1-ylamine
- N-benzyl-3-butenylamine
- N-benzyl-but-3-en-1-ylamine
- N-benzyl-N-(3-butenyl)amine
- N-benzyl-N-(but-3-en-1-yl)amine
- N-benzyl-N-(but-3-enyl)amine
- N-benzyl-N'-(cinnamoyl)thiourea
- N-benzyl-N'-3-phenylpropenoylthiourea
- N-benzyl-N-but-3-en-1-ylamine
- N-but-3-enylbenzylamine
- PubChem14561
- SCHEMBL5445732
- NSC-216329
- 78374-90-0
- NSC216329
- 1-benzyl-3-cinnamoyl-2-thiourea
- AKOS002741390
-
-
- Inchi： 1S/C17H16N2OS/c20-16(12-11-14-7-3-1-4-8-14)19-17(21)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,18,19,20,21)/b12-11+
- InChI Key： NGODYGDCMXDGFI-VAWYXSNFSA-N
- SMILES： S=C(NC(/C=C/C1C=CC=CC=1)=O)NCC1C=CC=CC=1
Computed Properties
- Exact Mass: 296.09800
- Monoisotopic Mass: 296.09833431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 369
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 73.22000
- LogP: 3.67250
Related Literature
-
2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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