Cas no 62549-45-5 (Thiourea, N-sec-heptyl-N'-undecyl-)
62549-45-5 structure
Product Name:Thiourea, N-sec-heptyl-N'-undecyl-
CAS No:62549-45-5
MF:C19H40N2S
MW:328.599304199219
CID:440670
PubChem ID:20322725
Update Time:2025-04-19
Thiourea, N-sec-heptyl-N'-undecyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-sec-heptyl-N'-undecyl-
- 1-heptan-2-yl-3-undecylthiourea
- 62549-45-5
- N-Heptan-2-yl-N'-undecylthiourea
- SCHEMBL11594416
- DTXSID20605253
-
- Inchi: 1S/C19H40N2S/c1-4-6-8-9-10-11-12-13-15-17-20-19(22)21-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3,(H2,20,21,22)
- InChI Key: CHQWBEVNOFQETN-UHFFFAOYSA-N
- SMILES: S=C(NCCCCCCCCCCC)NC(C)CCCCC
Computed Properties
- Exact Mass: 328.2915
- Monoisotopic Mass: 328.29122046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-sec-heptyl-N'-undecyl- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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