Cas no 59814-51-6 (Thiourea, N-methyl-N'-(2-methylpropyl)-)
59814-51-6 structure
Product Name:Thiourea, N-methyl-N'-(2-methylpropyl)-
CAS No:59814-51-6
MF:C6H14N2S
MW:146.253759860992
CID:337222
PubChem ID:15568243
Update Time:2025-04-19
Thiourea, N-methyl-N'-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-methyl-N'-(2-methylpropyl)-
- 1-methyl-3-(2-methylpropyl)thiourea
- VYXKZXCLFLKQPF-UHFFFAOYSA-N
- 1-isobutyl-3-methylthiourea
- AKOS003718925
- N-Methyl-N'-(2-methylpropyl)thiourea
- DTXSID70574465
- 59814-51-6
- SCHEMBL1961205
-
- Inchi： 1S/C6H14N2S/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9)
- InChI Key： VYXKZXCLFLKQPF-UHFFFAOYSA-N
- SMILES： S=C(NC)NCC(C)C
Computed Properties
- Exact Mass: 146.08792
- Monoisotopic Mass: 146.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 91.1
- 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: 1.3
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-methyl-N'-(2-methylpropyl)- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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