Cas no 62549-46-6 (Thiourea, N-dodecyl-N'-sec-hexyl-)
62549-46-6 structure
Product Name:Thiourea, N-dodecyl-N'-sec-hexyl-
CAS No:62549-46-6
MF:C19H40N2S
MW:328.599304199219
CID:440669
PubChem ID:20322743
Update Time:2025-04-19
Thiourea, N-dodecyl-N'-sec-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-dodecyl-N'-sec-hexyl-
- 1-dodecyl-3-hexan-2-ylthiourea
- DTXSID30605269
- SCHEMBL11596688
- 62549-46-6
- N-Dodecyl-N'-hexan-2-ylthiourea
-
- Inchi： 1S/C19H40N2S/c1-4-6-8-9-10-11-12-13-14-15-17-20-19(22)21-18(3)16-7-5-2/h18H,4-17H2,1-3H3,(H2,20,21,22)
- InChI Key： BSJGUBXQPYEYAE-UHFFFAOYSA-N
- SMILES： S=C(NCCCCCCCCCCCC)NC(C)CCCC
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-dodecyl-N'-sec-hexyl- 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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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
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