Cas no 51707-62-1 (Urea, N-methyl-N'-1,2,3-thiadiazol-5-yl-)
51707-62-1 structure
Product Name:Urea, N-methyl-N'-1,2,3-thiadiazol-5-yl-
CAS No:51707-62-1
MF:C4H6N4OS
MW:158.181638240814
CID:361606
PubChem ID:13729976
Update Time:2025-04-19
Urea, N-methyl-N'-1,2,3-thiadiazol-5-yl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-methyl-N'-1,2,3-thiadiazol-5-yl-
- 1-methyl-3-(thiadiazol-5-yl)urea
- 51707-62-1
- SCHEMBL8374470
- N-Methyl-N'-1,2,3-thiadiazol-5-ylurea
- DTXSID10547815
- Z1509163479
-
- Inchi： 1S/C4H6N4OS/c1-5-4(9)7-3-2-6-8-10-3/h2H,1H3,(H2,5,7,9)
- InChI Key： WPLACKGYQTURBS-UHFFFAOYSA-N
- SMILES： S1C(=CN=N1)NC(NC)=O
Computed Properties
- Exact Mass: 158.02638
- Monoisotopic Mass: 158.02623200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 130
- 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: -0.2
- Topological Polar Surface Area: 95.2?2
Experimental Properties
- PSA: 66.91
Urea, N-methyl-N'-1,2,3-thiadiazol-5-yl- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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