Cas no 868591-88-2 (2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]-)
868591-88-2 structure
Product Name:2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]-
CAS No:868591-88-2
MF:C13H13NO2S
MW:247.3128221035
CID:718968
Update Time:2024-01-31
2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]-
- 4-(4-isopropylphenyl)thiazole-2-carboxylic acid
- 4-(4-propan-2-ylphenyl)-1,3-thiazole-2-carboxylic acid
- 2-Thiazolecarboxylic acid,4-[4-(1-methylethyl)phenyl]-
- 4-(4-isopropylphenyl)thiazole-2-Carbocylic acid
- 4-[4-(1-methylethyl)phenyl]-2-Thiazolecarboxylicacid
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- Inchi: 1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)11-7-17-12(14-11)13(15)16/h3-8H,1-2H3,(H,15,16)
- InChI Key: IFTCAWBJYGEYLY-UHFFFAOYSA-N
- SMILES: S1C=C(C2=CC=C(C(C)C)C=C2)N=C1C(O)=O
Computed Properties
- Exact Mass: 247.067
- Monoisotopic Mass: 247.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 275
- 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: 78.4A^2
2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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