Cas no 62178-44-3 (Thiourea, N-(4-methylphenyl)-N'-(4-propoxyphenyl)-)
62178-44-3 structure
Product Name:Thiourea, N-(4-methylphenyl)-N'-(4-propoxyphenyl)-
CAS No:62178-44-3
MF:C17H20N2OS
MW:300.418502807617
CID:455320
PubChem ID:71389064
Update Time:2025-04-19
Thiourea, N-(4-methylphenyl)-N'-(4-propoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(4-methylphenyl)-N'-(4-propoxyphenyl)-
- 1-(4-methylphenyl)-3-(4-propoxyphenyl)thiourea
- 62178-44-3
- N-(4-Methylphenyl)-N'-(4-propoxyphenyl)thiourea
- DTXSID90811102
-
- Inchi： 1S/C17H20N2OS/c1-3-12-20-16-10-8-15(9-11-16)19-17(21)18-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H2,18,19,21)
- InChI Key： GBNCKERHHPOIPM-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC(C)=CC=1)NC1C=CC(=CC=1)OCCC
Computed Properties
- Exact Mass: 300.1298
- Monoisotopic Mass: 300.12963444g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 308
- 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: 4.3
- Topological Polar Surface Area: 65.4?2
Experimental Properties
- PSA: 33.29
Thiourea, N-(4-methylphenyl)-N'-(4-propoxyphenyl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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