Cas no 54985-61-4 (n-[bis(methylthio)methylene]glycine ethyl ester)
![n-[bis(methylthio)methylene]glycine ethyl ester structure](https://ossimg.kuujia.com/scimg/55000/54985-61-4x500.png)
54985-61-4 structure
Product Name:n-[bis(methylthio)methylene]glycine ethyl ester
CAS No:54985-61-4
MF:C7H13NO2S2
MW:207.313619375229
CID:943171
PubChem ID:10965701
Update Time:2025-04-19
n-[bis(methylthio)methylene]glycine ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- n-[bis(methylthio)methylene]glycine ethyl ester
- AG-F-91916
- CL 3143
- CTK1G8886
- Dimethyl N-(ethoxycarbonylmethyl)iminodithiocarbonate
- ETHYL 2-(BIS(METHYLTHIO)METHYLENEAMINO)ACETATE
- ETHYL 2-{[BIS(METHYLSULFANYL)METHYLIDENE]AMINO}ACETATE
- ethyl N-(bis-(methylthio)-methylene)glycinate
- ethyl N-[bis(methylsulfanyl)methylene]glycinate
- N-[bis(methylthio)methylen]glycine ethyl ester
- IBHAJSHOFWNLDW-UHFFFAOYSA-N
- Ethyl 2-[bis(methylsulfanyl)methylideneamino]acetate
- 54985-61-4
- N-(bis-(methylthio)-methylene)-glycine ethyl ester
- DTXSID40450085
- SCHEMBL3894516
- DB-320801
- N-[bis(methylthio)methylene]glycineethylester
-
- Inchi： 1S/C7H13NO2S2/c1-4-10-6(9)5-8-7(11-2)12-3/h4-5H2,1-3H3
- InChI Key： IBHAJSHOFWNLDW-UHFFFAOYSA-N
- SMILES： S(C)/C(=N/CC(=O)OCC)/SC
Computed Properties
- Exact Mass: 207.03889
- Monoisotopic Mass: 207.03877100g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 165
- 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: 2.2
- Topological Polar Surface Area: 89.3?2
Experimental Properties
- Density: 1.151
- Boiling Point: 276.289°C at 760 mmHg
- Flash Point: 120.895°C
- Refractive Index: 1.525
- PSA: 38.66
n-[bis(methylthio)methylene]glycine ethyl ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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