Cas no 25283-73-2 (1,2,5-Thiadiazole, 3-methyl-4-phenyl-)
25283-73-2 structure
Product Name:1,2,5-Thiadiazole, 3-methyl-4-phenyl-
CAS No:25283-73-2
MF:C9H8N2S
MW:176.238220214844
CID:1422037
PubChem ID:12503516
Update Time:2025-04-20
1,2,5-Thiadiazole, 3-methyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,5-Thiadiazole, 3-methyl-4-phenyl-
- 3-methyl-4-phenyl-1,2,5-thiadiazole
- SCHEMBL4975817
- 25283-73-2
- 3-Methyl-4-phenyl-[1,2,5]thiadiazole
- DTXSID90500625
-
- Inchi： 1S/C9H8N2S/c1-7-9(11-12-10-7)8-5-3-2-4-6-8/h2-6H,1H3
- InChI Key： FLEZBTZTSHXYQH-UHFFFAOYSA-N
- SMILES： S1N=C(C)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 176.04094
- Monoisotopic Mass: 176.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- 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: 2.4
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 25.78
1,2,5-Thiadiazole, 3-methyl-4-phenyl- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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