Cas no 54379-31-6 (2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol)
54379-31-6 structure
Product Name:2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol
CAS No:54379-31-6
MF:C7H12NOS
MW:158.241280555725
CID:2831202
PubChem ID:3420026
Update Time:2025-04-21
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol Chemical and Physical Properties
Names and Identifiers
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- 54379-31-6
- BDBM60969
- DTXSID00392331
- SCHEMBL6936136
- CHEMBL3306931
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazol-3-ium
- Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-
- CA inhibitor, 1
- 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol
-
- Inchi： 1S/C7H12NOS/c1-6-7(3-4-9)10-5-8(6)2/h5,9H,3-4H2,1-2H3/q+1
- InChI Key： VHDCMFVSARZDNW-UHFFFAOYSA-N
- SMILES： S1C=[N+](C)C(C)=C1CCO
Computed Properties
- Exact Mass: 158.06396018g/mol
- Monoisotopic Mass: 158.06396018g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 110
- 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: 1.1
- Topological Polar Surface Area: 52.4?2
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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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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