Cas no 26914-14-7 (Thiourea, diethyl-)
Thiourea, diethyl- structure
Product Name:Thiourea, diethyl-
CAS No:26914-14-7
MF:C5H12N2S
MW:132.227179527283
CID:269438
Update Time:2024-01-27
Thiourea, diethyl- Chemical and Physical Properties
Names and Identifiers
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- Thiourea, diethyl-
-
- Inchi： 1S/C5H12N2S/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
- InChI Key： CNLHIRFQKMVKPX-UHFFFAOYSA-N
- SMILES： N(CC)(CC)C(N)=S
Computed Properties
- Exact Mass: 132.072
- Monoisotopic Mass: 132.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 78.5
- 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
- Topological Polar Surface Area: 61.4A^2
Experimental Properties
- Density: 1.041
- Melting Point: 117-118 °C
- Boiling Point: 188.3 °C at 760 mmHg
- Flash Point: 67.7 °C
- Refractive Index: 1.538
- PSA: 61.35000
- LogP: 1.27210
Thiourea, diethyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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