Cas no 99983-82-1 ( )
structure
Product Name:
CAS No:99983-82-1
MF:C11H10ClNS
MW:223.721800327301
CID:872495
PubChem ID:53440941
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-4-(3,4-dimethylphenyl)-1,3-thiazole
- 2-CHLORO-4-(3,4-DIMETHYLPHENYL)THIAZOLE
- 99983-82-1
- AKOS012239607
- DTXSID30702929
-
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- Inchi： 1S/C11H10ClNS/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10/h3-6H,1-2H3
- InChI Key： RQYVWZKDUZHTOF-UHFFFAOYSA-N
- SMILES： ClC1=NC(=CS1)C1C=CC(C)=C(C)C=1
Computed Properties
- Exact Mass: 223.022
- Monoisotopic Mass: 223.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 200
- 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: 41.1A^2
- XLogP3: 4.3
Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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