Cas no 55131-53-8 (Ethanethioamide, compd. with acetonitrile (1:1))
55131-53-8 structure
Product Name:Ethanethioamide, compd. with acetonitrile (1:1)
CAS No:55131-53-8
MF:C4H8N2S
MW:116.184719085693
CID:1592892
PubChem ID:71364297
Update Time:2025-04-21
Ethanethioamide, compd. with acetonitrile (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioamide, compd. with acetonitrile (1:1)
- acetonitrile,ethanethioamide
- 55131-53-8
- DTXSID50787773
- Ethanethioamide--acetonitrile (1/1)
-
- Inchi： 1S/C2H5NS.C2H3N/c1-2(3)4;1-2-3/h1H3,(H2,3,4);1H3
- InChI Key： LSOWZKPNRJYLSR-UHFFFAOYSA-N
- SMILES： S=C(C)N.N#CC
Computed Properties
- Exact Mass: 116.04094
- Monoisotopic Mass: 116.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 62.3
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 81.9?2
Experimental Properties
- PSA: 49.81
Ethanethioamide, compd. with acetonitrile (1:1) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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