Cas no 180720-97-2 (1,2-Ethanediol, 1-(2-amino-4-thiazolyl)-)
180720-97-2 structure
Product Name:1,2-Ethanediol, 1-(2-amino-4-thiazolyl)-
CAS No:180720-97-2
MF:C5H8N2O2S
MW:160.194219589233
CID:113513
Update Time:2024-01-24
1,2-Ethanediol, 1-(2-amino-4-thiazolyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Ethanediol, 1-(2-amino-4-thiazolyl)-
- 1,2-Ethanediol, 1-(2-amino-4-thiazolyl)-
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- Inchi： 1S/C5H8N2O2S/c6-5-7-3(2-10-5)4(9)1-8/h2,4,8-9H,1H2,(H2,6,7)
- InChI Key： RWMNAFUKYVSETQ-UHFFFAOYSA-N
- SMILES： C(C1=CSC(N)=N1)(O)CO
Computed Properties
- Exact Mass: 160.03074
- Monoisotopic Mass: 160.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 108A^2
Experimental Properties
- Density: 1.555±0.06 g/cm3(Predicted)
- Boiling Point: 436.2±30.0 °C(Predicted)
- PSA: 79.37
- pka: 12.39±0.20(Predicted)
1,2-Ethanediol, 1-(2-amino-4-thiazolyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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