Cas no 786610-33-1 ( )
structure
Product Name:
CAS No:786610-33-1
MF:C12H12ClNS
MW:237.748380661011
CID:871508
PubChem ID:15725279
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-4-(2,4,6-trimethylphenyl)-1,3-thiazole
- 2-CHLORO-4-(2,4,6-TRIMETHYLPHENYL)THIAZOLE
- 786610-33-1
- DTXSID10577475
- AKOS012238481
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- Inchi： 1S/C12H12ClNS/c1-7-4-8(2)11(9(3)5-7)10-6-15-12(13)14-10/h4-6H,1-3H3
- InChI Key： BWQKUPFIWIDWRD-UHFFFAOYSA-N
- SMILES： ClC1=NC(=CS1)C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 237.0378983g/mol
- Monoisotopic Mass: 237.0378983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 4.7
- Topological Polar Surface Area: 41.1?2
Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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