Cas no 99223-34-4 (1-(5-aminopentyl)-3-phenylthiourea)
99223-34-4 structure
Product Name:1-(5-aminopentyl)-3-phenylthiourea
CAS No:99223-34-4
MF:C12H19N3S
MW:237.364361047745
CID:1002812
PubChem ID:3035524
Update Time:2025-04-20
1-(5-aminopentyl)-3-phenylthiourea Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-aminopentyl)-3-phenylthiourea
- 1-(5-Aminopentyl)-3-phenylthioure
- 99223-34-4
- N'-(5-Aminopentyl)-N-phenylcarbamimidothioic acid
- 1-Appt
- SCHEMBL3013357
- DTXSID80912834
- Thiourea, N-(5-aminopentyl)-N'-phenyl-
- CHEMBL5286514
-
- Inchi： 1S/C12H19N3S/c13-9-5-2-6-10-14-12(16)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,13H2,(H2,14,15,16)
- InChI Key： WMVYKFYMCPIMOG-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NCCCCCN
Computed Properties
- Exact Mass: 237.13
- Monoisotopic Mass: 237.13
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 191
- 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: 1.2
- Topological Polar Surface Area: 82.2?2
Experimental Properties
- Density: 1.136
- Boiling Point: 365.3°C at 760 mmHg
- Flash Point: 174.7°C
- Refractive Index: 1.62
1-(5-aminopentyl)-3-phenylthiourea Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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