Cas no 60798-88-1 ((cyclobutylideneamino)thiourea)
60798-88-1 structure
Product Name:(cyclobutylideneamino)thiourea
CAS No:60798-88-1
MF:C5H9N3S
MW:143.210058927536
CID:953543
PubChem ID:5091999
Update Time:2025-04-19
(cyclobutylideneamino)thiourea Chemical and Physical Properties
Names and Identifiers
-
- (cyclobutylideneamino)thiourea
- AC1NOP2W
- NCIOpen2_002077
- NSC105547
- NSC-105547
- 60798-88-1
- DS-007827
- AKOS006351197
- 2-Cyclobutylidenehydrazine-1-carbothioamide
- DTXSID40408228
-
- Inchi： 1S/C5H9N3S/c6-5(9)8-7-4-2-1-3-4/h1-3H2,(H3,6,8,9)
- InChI Key： FFUSFXJGHCATSD-UHFFFAOYSA-N
- SMILES： S=C(N)N/N=C1\CCC\1
Computed Properties
- Exact Mass: 143.05187
- Monoisotopic Mass: 143.05171847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 146
- 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: -0.1
- Topological Polar Surface Area: 82.5?2
Experimental Properties
- PSA: 50.41
- LogP: 1.45070
(cyclobutylideneamino)thiourea Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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