Cas no 674807-17-1 (1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone)
![1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone structure](https://ossimg.kuujia.com/scimg/675000/674807-17-1x500.png)
674807-17-1 structure
Product Name:1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CAS No:674807-17-1
MF:C6H9N3OS
MW:171.220159292221
CID:879848
Update Time:2024-03-05
1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone
- Ethanone, 1-[4-amino-2-(methylamino)-5-thiazolyl]- (9CI)
- Ethanone, 1-[4-amino-2-(methylamino)-5-thiazolyl]-
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- Inchi： 1S/C6H9N3OS/c1-3(10)4-5(7)9-6(8-2)11-4/h7H2,1-2H3,(H,8,9)
- InChI Key： WDQJDELBIRGYBK-UHFFFAOYSA-N
- SMILES： C(=O)(C1SC(NC)=NC=1N)C
Computed Properties
- Exact Mass: 171.047
- Monoisotopic Mass: 171.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 164
- 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
Experimental Properties
- Density: 1.365
- Boiling Point: 334.7°C at 760 mmHg
- Flash Point: 156.2°C
- Refractive Index: 1.665
- LogP: 0.97270
1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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