Cas no 54088-58-3 (Thiourea, N-(1-methylethyl)-N'-(1-methylpropyl)-)
54088-58-3 structure
Product Name:Thiourea, N-(1-methylethyl)-N'-(1-methylpropyl)-
CAS No:54088-58-3
MF:C8H18N2S
MW:174.306920528412
CID:355554
PubChem ID:19652065
Update Time:2025-04-19
Thiourea, N-(1-methylethyl)-N'-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(1-methylethyl)-N'-(1-methylpropyl)-
- 1-butan-2-yl-3-propan-2-ylthiourea
- AKOS003716432
- 54088-58-3
- N-Butan-2-yl-N'-propan-2-ylthiourea
- DTXSID50599171
- SCHEMBL11504379
-
- Inchi： 1S/C8H18N2S/c1-5-7(4)10-8(11)9-6(2)3/h6-7H,5H2,1-4H3,(H2,9,10,11)
- InChI Key： QFGONZUOOBRNMD-UHFFFAOYSA-N
- SMILES： S=C(NC(C)C)NC(C)CC
Computed Properties
- Exact Mass: 174.11924
- Monoisotopic Mass: 174.11906976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 123
- 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: 2.1
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-(1-methylethyl)-N'-(1-methylpropyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
54088-58-3 (Thiourea, N-(1-methylethyl)-N'-(1-methylpropyl)-) Related Products
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