Cas no 6629-59-0 (1-butyl-3-dodecylthiourea)
1-butyl-3-dodecylthiourea structure
Product Name:1-butyl-3-dodecylthiourea
CAS No:6629-59-0
MF:C17H36N2S
MW:300.546143531799
CID:1707059
PubChem ID:4660015
Update Time:2025-04-21
1-butyl-3-dodecylthiourea Chemical and Physical Properties
Names and Identifiers
-
- 1-butyl-3-dodecylthiourea
- ST50982908
- N-(n-butyl)-N'-(n-dodecyl) thiourea
- AC1NFKIN
- NSC58179
- N-(n-butyl)-N'-(n-dodecyl)-thiourea
- (butylamino)(dodecylamino)methane-1-thione
- 1-n-Dodecyl-3-n-butyl-2-thioharnstoff
- 1-n-dodecyl-3-n-butyl-2-thiourea
- AKOS003717337
- N-Butyl-N'-dodecyl-thioharnstoff
- NCIOpen2_007674
- N-butyl-N'-dodecyl-thiourea
- ST50982908; N-(n-butyl)-N'-(n-dodecyl) thiourea; AC1NFKIN; NSC58179; N-(n-butyl)-N'-(n-dodecyl)-thiourea; (butylamino)(dodecylamino)methane-1-thione; 1-n-Dodecyl-3-n-butyl-2-thioharnstoff; 1-n-dodecyl-3-n-butyl-2-thiourea; AKOS003717337; N-Butyl-N'-dodecyl-thioharnstoff; NCIOpen2_007674; N-butyl-N'-dodecyl-thiourea;
- DTXSID50405329
- SCHEMBL11141423
- DS-014130
- NSC-58179
- 3-Butyl-1-dodecyl-thiourea
- 6629-59-0
-
- Inchi： 1S/C17H36N2S/c1-3-5-7-8-9-10-11-12-13-14-16-19-17(20)18-15-6-4-2/h3-16H2,1-2H3,(H2,18,19,20)
- InChI Key： XEUGAFYBCVLSIJ-UHFFFAOYSA-N
- SMILES： S=C(NCCCC)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: 14
- Complexity: 207
- 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: 7.1
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
- LogP: 5.95330
1-butyl-3-dodecylthiourea Related Literature
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
6629-59-0 (1-butyl-3-dodecylthiourea) Related Products
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