Cas no 1026039-86-0 (4-(hydroxymethyl)-5-Thiazoleethanol)
1026039-86-0 structure
Product Name:4-(hydroxymethyl)-5-Thiazoleethanol
CAS No:1026039-86-0
MF:C6H9NO2S
MW:159.206160306931
CID:1096737
Update Time:2024-07-27
4-(hydroxymethyl)-5-Thiazoleethanol Chemical and Physical Properties
Names and Identifiers
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- 4-(hydroxymethyl)-5-Thiazoleethanol
- 5-Thiazoleethanol, 4-(hydroxymethyl)-
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- Inchi： 1S/C6H9NO2S/c8-2-1-6-5(3-9)7-4-10-6/h4,8-9H,1-3H2
- InChI Key： KSHOEJDAHWLEMP-UHFFFAOYSA-N
- SMILES： S1C(CCO)=C(CO)N=C1
Computed Properties
- Exact Mass: 159.0354g/mol
- Monoisotopic Mass: 159.0354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 102
- 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
- Molecular Weight: 159.21g/mol
- XLogP3: -0.3
- Topological Polar Surface Area: 81.6?2
4-(hydroxymethyl)-5-Thiazoleethanol Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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