Cas no 648882-64-8 (5-Thiazolecarboxylic acid, 2-(4-chlorophenyl)-4-(hydroxymethyl)-)
648882-64-8 structure
Product Name:5-Thiazolecarboxylic acid, 2-(4-chlorophenyl)-4-(hydroxymethyl)-
CAS No:648882-64-8
MF:C11H8ClNO3S
MW:269.704120635986
CID:413531
PubChem ID:58387704
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-(4-chlorophenyl)-4-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-(4-chlorophenyl)-4-(hydroxymethyl)-
- 2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid
- 648882-64-8
- DTXSID30729176
- SCHEMBL5937234
-
- Inchi： 1S/C11H8ClNO3S/c12-7-3-1-6(2-4-7)10-13-8(5-14)9(17-10)11(15)16/h1-4,14H,5H2,(H,15,16)
- InChI Key： CRMUPIUMGBAAPO-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=NC(CO)=C(C(=O)O)S1
Computed Properties
- Exact Mass: 268.99144
- Monoisotopic Mass: 268.9913420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 284
- 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: 2.3
- Topological Polar Surface Area: 98.7?2
Experimental Properties
- PSA: 70.42
5-Thiazolecarboxylic acid, 2-(4-chlorophenyl)-4-(hydroxymethyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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