Cas no 51707-60-9 (Urea, N-(3-methylphenyl)-N'-1,2,3-thiadiazol-5-yl-)
51707-60-9 structure
Product Name:Urea, N-(3-methylphenyl)-N'-1,2,3-thiadiazol-5-yl-
CAS No:51707-60-9
MF:C10H10N4OS
MW:234.277599811554
CID:361608
PubChem ID:13729974
Update Time:2025-04-19
Urea, N-(3-methylphenyl)-N'-1,2,3-thiadiazol-5-yl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-(3-methylphenyl)-N'-1,2,3-thiadiazol-5-yl-
- 1-(3-methylphenyl)-3-(thiadiazol-5-yl)urea
- SCHEMBL8374843
- DTXSID90547813
- 51707-60-9
- N-(3-Methylphenyl)-N'-1,2,3-thiadiazol-5-ylurea
-
- Inchi： 1S/C10H10N4OS/c1-7-3-2-4-8(5-7)12-10(15)13-9-6-11-14-16-9/h2-6H,1H3,(H2,12,13,15)
- InChI Key： VPQCEUKQHPEXHP-UHFFFAOYSA-N
- SMILES： S1C(=CN=N1)NC(NC1=CC=CC(C)=C1)=O
Computed Properties
- Exact Mass: 234.0577
- Monoisotopic Mass: 234.05753213g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 1.7
- Topological Polar Surface Area: 95.2?2
Experimental Properties
- PSA: 66.91
Urea, N-(3-methylphenyl)-N'-1,2,3-thiadiazol-5-yl- Related Literature
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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