Cas no 77991-97-0 (1-cyclopropyl-3-phenylthiourea)
77991-97-0 structure
Product Name:1-cyclopropyl-3-phenylthiourea
CAS No:77991-97-0
MF:C10H12N2S
MW:192.280680656433
CID:882208
PubChem ID:4679813
Update Time:2025-04-19
1-cyclopropyl-3-phenylthiourea Chemical and Physical Properties
Names and Identifiers
-
- 1-cyclopropyl-3-phenylthiourea
- AC1NF90C
- N-Cyclopropyl-N'-phenyl-thioharnstoff
- N-cyclopropyl-N'-phenyl-thiourea
- NSC127025
- STK076368
- SCHEMBL11284872
- AKOS000431048
- NSC-127025
- N-cyclopropyl-N'-phenylthiourea
- 77991-97-0
- DTXSID60405491
-
- Inchi： 1S/C10H12N2S/c13-10(12-9-6-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12,13)
- InChI Key： HMRHSMXFUQAWTJ-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NC1CC1
Computed Properties
- Exact Mass: 192.07226
- Monoisotopic Mass: 192.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 183
- 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: 2.2
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
1-cyclopropyl-3-phenylthiourea Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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