Cas no 67209-08-9 (Acetamide,N-(3-methyl-5-isothiazolyl)-)
67209-08-9 structure
Product Name:Acetamide,N-(3-methyl-5-isothiazolyl)-
CAS No:67209-08-9
MF:C6H8N2OS
MW:156.205519676208
CID:524921
PubChem ID:266543
Update Time:2025-04-19
Acetamide,N-(3-methyl-5-isothiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,N-(3-methyl-5-isothiazolyl)-
- NSC-105010
- NSC105010
- CHEMBL1709818
- MLS002703814
- NCIOpen2_002231
- 67209-08-9
- N-(3-Methyl-1,2-thiazol-5-yl)ethanimidic acid
- SMR001570528
- SCHEMBL6633482
- DTXSID40986319
-
- Inchi： 1S/C6H8N2OS/c1-4-3-6(10-8-4)7-5(2)9/h3H,1-2H3,(H,7,9)
- InChI Key： JMUYFMZMYRMFJN-UHFFFAOYSA-N
- SMILES： S1C(=CC(C)=N1)NC(C)=O
Computed Properties
- Exact Mass: 156.03584
- Monoisotopic Mass: 156.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 70.2?2
Experimental Properties
- Density: 1.285
- Boiling Point: 223°Cat760mmHg
- Flash Point: 88.7°C
- Refractive Index: 1.604
- PSA: 41.99
Acetamide,N-(3-methyl-5-isothiazolyl)- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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