Cas no 29118-87-4 (Ethanimidothioic acid,N-[[(methylamino)carbonyl]oxy]-, 2-cyanoethyl ester, (1Z)-)
![Ethanimidothioic acid,N-[[(methylamino)carbonyl]oxy]-, 2-cyanoethyl ester, (1Z)- structure](https://ossimg.kuujia.com/scimg/29500/29118-87-4x500.png)
29118-87-4 structure
Product Name:Ethanimidothioic acid,N-[[(methylamino)carbonyl]oxy]-, 2-cyanoethyl ester, (1Z)-
CAS No:29118-87-4
MF:C7H11N3O2S
MW:201.246139764786
CID:271775
PubChem ID:6513641
Update Time:2025-04-19
Ethanimidothioic acid,N-[[(methylamino)carbonyl]oxy]-, 2-cyanoethyl ester, (1Z)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanimidothioic acid,N-[[(methylamino)carbonyl]oxy]-, 2-cyanoethyl ester, (1Z)-
- 2-cyanoethyl (1Z)-N-(methylcarbamoyloxy)ethanimidothioate
- Ethanimidothioic acid, N-(((methylamino)carbonyl)oxy)-, 2-cyanoethyl ester, (1Z)-
- Thiocarboxime, (Z)-
- SD-17250
- cis-Thiocarboxime
- THIOCARBOXIME, CIS-
- DTXSID9040263
- SD 17250
- Q27273357
- (E)-thiocarboxime
- THIOCARBOXIME, Z-
- Ethanimidothioic acid, N-(((methylamino)carbonyl)oxy)-, 2-cyanoethyl ester, (Z)-
- 5TL3333XZR
- SCHEMBL119987
- 29118-87-4
- syn-S-Cyanoethyl O-(N-methylcarbamyl)thioacetohydroximate
- UNII-5TL3333XZR
- Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ester with 3-mercaptopropionitrile, (Z)-
-
- Inchi： 1S/C7H11N3O2S/c1-6(13-5-3-4-8)10-12-7(11)9-2/h3,5H2,1-2H3,(H,9,11)/b10-6-
- InChI Key： IWRFWZPCCDGEFJ-POHAHGRESA-N
- SMILES： S(/C(/C)=N\OC(NC)=O)CCC#N
Computed Properties
- Exact Mass: 201.057197
- Monoisotopic Mass: 201.057197
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 99.8
Experimental Properties
- Density: 1.19
- Boiling Point: °Cat760mmHg
- Flash Point: °C
Ethanimidothioic acid,N-[[(methylamino)carbonyl]oxy]-, 2-cyanoethyl ester, (1Z)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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