Cas no 62552-53-8 (Thiourea, N-hexyl-N'-tridecyl-)
62552-53-8 structure
Product Name:Thiourea, N-hexyl-N'-tridecyl-
CAS No:62552-53-8
MF:C20H42N2S
MW:342.625884532928
CID:440544
PubChem ID:20322703
Update Time:2025-04-19
Thiourea, N-hexyl-N'-tridecyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-hexyl-N'-tridecyl-
- 1-hexyl-3-tridecylthiourea
- DTXSID20605233
- SCHEMBL11595092
- N-Hexyl-N'-tridecylthiourea
- 62552-53-8
-
- Inchi： 1S/C20H42N2S/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(23)21-18-16-8-6-4-2/h3-19H2,1-2H3,(H2,21,22,23)
- InChI Key： XAYNKLTWVXLVLR-UHFFFAOYSA-N
- SMILES： S=C(NCCCCCC)NCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 342.30716
- Monoisotopic Mass: 342.30687052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 17
- Complexity: 244
- 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: 8.4
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-hexyl-N'-tridecyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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