Cas no 31683-82-6 (Thiourea,N-2-propen-1-yl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)-)
31683-82-6 structure
Product Name:Thiourea,N-2-propen-1-yl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)-
CAS No:31683-82-6
MF:C10H14N4OS2
MW:270.374358654022
CID:309555
PubChem ID:3038173
Update Time:2025-04-19
Thiourea,N-2-propen-1-yl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiourea,N-2-propen-1-yl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)-
- 1-(1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-4-yl)-3-prop-2-enylthiourea
- 1-Allyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)-2-thiourea
- DTXSID30185576
- Urea, 1-allyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)-2-thio-
- 31683-82-6
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- Inchi： 1S/C10H14N4OS2/c1-4-5-11-9(16)12-7-6-8(15)14(3)10(17)13(7)2/h4,6H,1,5H2,2-3H3,(H2,11,12,16)
- InChI Key： BEXRJLODQPFVSK-UHFFFAOYSA-N
- SMILES： S=C1N(C)C(C=C(NC(NCC=C)=S)N1C)=O
Computed Properties
- Exact Mass: 270.06112
- Monoisotopic Mass: 270.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 405
- 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: 0.5
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.35
- Boiling Point: 356.4°Cat760mmHg
- Flash Point: 169.3°C
- Refractive Index: 1.675
- PSA: 47.61
Thiourea,N-2-propen-1-yl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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