Cas no 180207-27-6 (4-Thiazoleethanol,2-(methylamino)-)
180207-27-6 structure
Product Name:4-Thiazoleethanol,2-(methylamino)-
CAS No:180207-27-6
MF:C6H10N2OS
MW:158.221399784088
CID:113392
PubChem ID:45121870
Update Time:2025-04-18
4-Thiazoleethanol,2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleethanol,2-(methylamino)-
- 2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
- 4-Thiazoleethanol, 2-(methylamino)-
- 180207-27-6
- 4-Thiazoleethanol, 2-(methylamino)-
- DB-272918
-
- Inchi： 1S/C6H10N2OS/c1-7-6-8-5(2-3-9)4-10-6/h4,9H,2-3H2,1H3,(H,7,8)
- InChI Key： CIYMXSNNIGGYNL-UHFFFAOYSA-N
- SMILES： S1C(NC)=NC(=C1)CCO
Computed Properties
- Exact Mass: 158.0515
- Monoisotopic Mass: 158.051
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 73.4A^2
Experimental Properties
- PSA: 45.15
4-Thiazoleethanol,2-(methylamino)- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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