Cas no 153028-00-3 (4-Thiazolemethanol,2-ethynyl-)
4-Thiazolemethanol,2-ethynyl- structure
Product Name:4-Thiazolemethanol,2-ethynyl-
CAS No:153028-00-3
MF:C6H5NOS
MW:139.174999952316
CID:99053
PubChem ID:45079328
Update Time:2025-04-18
4-Thiazolemethanol,2-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolemethanol,2-ethynyl-
- (2-ethynyl-1,3-thiazol-4-yl)methanol
- 2-Ethynyl-4-thiazolemethanol
- 4-Thiazolemethanol, 2-ethynyl- (9CI)
- SCHEMBL9265009
- 153028-00-3
- RKERPGZOCHXPTN-UHFFFAOYSA-N
- 2-ethynyl 4-thiazol methanol
-
- Inchi： 1S/C6H5NOS/c1-2-6-7-5(3-8)4-9-6/h1,4,8H,3H2
- InChI Key： RKERPGZOCHXPTN-UHFFFAOYSA-N
- SMILES： S1C(C#C)=NC(=C1)CO
Computed Properties
- Exact Mass: 139.00925
- Monoisotopic Mass: 139.00918496g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 139
- 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: 0.4
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- Density: 1.33±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Slightly soluble (2.6 g/l) (25 o C),
- PSA: 33.12
4-Thiazolemethanol,2-ethynyl- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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