Cas no 5467-00-5 (Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl-)
5467-00-5 structure
Product Name:Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl-
CAS No:5467-00-5
MF:C16H16N2OS
MW:284.376042366028
CID:385411
PubChem ID:4371187
Update Time:2025-04-19
Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl-
- 1-phenyl-3-(4-propanoylphenyl)thiourea
- AC1NA3W6
- CTK1H4703
- NSC177015
- NSC-177015
- NSC177945
- NSC-177945
- NSC28621
- NSC-28621
- N-Phenyl-N'-(4-propanoylphenyl)thiourea
- NSC 28621
- NSC 177015
- DTXSID20402502
- NSC 177945
- 5467-00-5
-
- Inchi: 1S/C16H16N2OS/c1-2-15(19)12-8-10-14(11-9-12)18-16(20)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,17,18,20)
- InChI Key: PDRCMRGBKDMKJN-UHFFFAOYSA-N
- SMILES: S=C(NC1C=CC=CC=1)NC1C=CC(=CC=1)C(CC)=O
Computed Properties
- Exact Mass: 284.09848
- Monoisotopic Mass: 284.09833431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 331
- 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: 3.4
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 41.13
- LogP: 4.23420
Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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