Cas no 62552-45-8 (Thiourea, N-dodecyl-N'-(1-methylpropyl)-)
62552-45-8 structure
Product Name:Thiourea, N-dodecyl-N'-(1-methylpropyl)-
CAS No:62552-45-8
MF:C17H36N2S
MW:300.546143531799
CID:440552
PubChem ID:20322747
Update Time:2025-04-19
Thiourea, N-dodecyl-N'-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-dodecyl-N'-(1-methylpropyl)-
- 1-butan-2-yl-3-dodecylthiourea
- N-Butan-2-yl-N'-dodecylthiourea
- SCHEMBL11595952
- DTXSID20605273
- 62552-45-8
-
- Inchi： 1S/C17H36N2S/c1-4-6-7-8-9-10-11-12-13-14-15-18-17(20)19-16(3)5-2/h16H,4-15H2,1-3H3,(H2,18,19,20)
- InChI Key： ZVYMOFSVAPQAHP-UHFFFAOYSA-N
- SMILES： S=C(NC(C)CC)NCCCCCCCCCCCC
Computed Properties
- Exact Mass: 300.26018
- Monoisotopic Mass: 300.25992033g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 219
- 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: 6.9
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-dodecyl-N'-(1-methylpropyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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