Cas no 326850-61-7 (2,5-Thiazoledimethanol)
2,5-Thiazoledimethanol structure
Product Name:2,5-Thiazoledimethanol
CAS No:326850-61-7
MF:C5H7NO2S
MW:145.179579973221
CID:301567
PubChem ID:10130026
Update Time:2025-04-19
2,5-Thiazoledimethanol Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Thiazoledimethanol
- [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol
- DTXSID40435938
- thiazole-2,5-diyldimethanol
- 326850-61-7
- SCHEMBL2956791
- 2,5-di(hydroxymethyl)-1,3-thiazole
-
- Inchi： 1S/C5H7NO2S/c7-2-4-1-6-5(3-8)9-4/h1,7-8H,2-3H2
- InChI Key： CZTWZUYZDZRVJJ-UHFFFAOYSA-N
- SMILES： S1C(CO)=NC=C1CO
Computed Properties
- Exact Mass: 145.01981
- Monoisotopic Mass: 145.01974964g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 91
- 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: -0.7
- Topological Polar Surface Area: 81.6?2
Experimental Properties
- PSA: 53.35
2,5-Thiazoledimethanol Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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