Cas no 907545-50-0 (INDEX NAME NOT YET ASSIGNED)
INDEX NAME NOT YET ASSIGNED structure
Product Name:INDEX NAME NOT YET ASSIGNED
CAS No:907545-50-0
MF:C8H8ClNO3S
MW:233.672019958496
CID:995069
PubChem ID:53426547
Update Time:2025-04-20
INDEX NAME NOT YET ASSIGNED Chemical and Physical Properties
Names and Identifiers
-
- INDEX NAME NOT YET ASSIGNED
- ethyl 4-acetyl-2-chloro-1,3-thiazole-5-carboxylate
- 907545-50-0
- DTXSID50699266
-
- Inchi： 1S/C8H8ClNO3S/c1-3-13-7(12)6-5(4(2)11)10-8(9)14-6/h3H2,1-2H3
- InChI Key： QDORMILNXPPLFE-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(C)=O)=C(C(=O)OCC)S1
Computed Properties
- Exact Mass: 232.991
- Monoisotopic Mass: 232.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 249
- 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
- Topological Polar Surface Area: 84.5A^2
- XLogP3: 2.5
INDEX NAME NOT YET ASSIGNED Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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