Cas no 668477-97-2 (5-Thiazolemethanol, 2-(3-chloro-4-fluorophenyl)-4-methyl-)
668477-97-2 structure
Product Name:5-Thiazolemethanol, 2-(3-chloro-4-fluorophenyl)-4-methyl-
CAS No:668477-97-2
MF:C11H9ClFNOS
MW:257.711663961411
CID:1713123
PubChem ID:22647471
Update Time:2025-04-21
5-Thiazolemethanol, 2-(3-chloro-4-fluorophenyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolemethanol, 2-(3-chloro-4-fluorophenyl)-4-methyl-
- DTXSID401206455
- SCHEMBL3371249
- [2-(3-chloro-4-fluoro-phenyl)-4-methyl-thiazol-5-yl)-methanol
- [2-(3-chloro-4-fluoro-phenyl)-4-methyl-thiazol-5-yl]-methanol
- 668477-97-2
- 2-(3-Chloro-4-fluorophenyl)-4-methyl-5-thiazolemethanol
- MJSCDESMAUHXRS-UHFFFAOYSA-N
- DS-017964
-
- Inchi： 1S/C11H9ClFNOS/c1-6-10(5-15)16-11(14-6)7-2-3-9(13)8(12)4-7/h2-4,15H,5H2,1H3
- InChI Key： MJSCDESMAUHXRS-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)C1=NC(C)=C(CO)S1)F
Computed Properties
- Exact Mass: 257.00787
- Monoisotopic Mass: 257.0077409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 2.9
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- PSA: 33.12
5-Thiazolemethanol, 2-(3-chloro-4-fluorophenyl)-4-methyl- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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