Cas no 21521-88-0 (Acetamide, 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-)
21521-88-0 structure
Product Name:Acetamide, 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CAS No:21521-88-0
MF:C5H5Cl2N3OS
MW:226.083697080612
CID:291210
PubChem ID:283041
Update Time:2025-04-19
Acetamide, 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
- 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
- 2-Dichloracetamido-5-methyl-1,3,4-thiadiazol
- DTXSID00300496
- AKOS002241157
- NSC 137230
- NSC-137230
- 21521-88-0
- NSC137230
-
- Inchi： 1S/C5H5Cl2N3OS/c1-2-9-10-5(12-2)8-4(11)3(6)7/h3H,1H3,(H,8,10,11)
- InChI Key： GMLAGNWVBCYQPU-UHFFFAOYSA-N
- SMILES： ClC(C(NC1=NN=C(C)S1)=O)Cl
Computed Properties
- Exact Mass: 224.95300
- Monoisotopic Mass: 224.953
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 180
- 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: 1.6
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- Density: 1.639
- Refractive Index: 1.638
- PSA: 83.12000
- LogP: 1.66170
Acetamide, 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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