Cas no 46719-49-7 (Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-)
46719-49-7 structure
Product Name:Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-
CAS No:46719-49-7
MF:C13H16NOS
MW:234.337242126465
CID:325543
PubChem ID:425305
Update Time:2025-04-19
Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-
- 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
- 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium
- BDBM237291
- CA inhibitor, 2
- HMS1397F14
- DTXSID90329954
- 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
- SCHEMBL2900332
- 46719-49-7
- AKOS001603491
- CBDivE_007352
- STK256619
- Enamine_001180
-
- Inchi： 1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1
- InChI Key： KFFCZLRCIKDJRE-UHFFFAOYSA-N
- SMILES： S1C=[N+](CC2C=CC=CC=2)C(C)=C1CCO
Computed Properties
- Exact Mass: 234.095
- Monoisotopic Mass: 234.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 206
- 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: 2.7
- Topological Polar Surface Area: 52.4?2
Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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