Cas no 18719-14-7 (Ethanethioic acid,S-[2-(dimethylamino)ethyl] ester)
![Ethanethioic acid,S-[2-(dimethylamino)ethyl] ester structure](https://ossimg.kuujia.com/scimg/19000/18719-14-7x500.png)
18719-14-7 structure
Product Name:Ethanethioic acid,S-[2-(dimethylamino)ethyl] ester
CAS No:18719-14-7
MF:C6H13NOS
MW:147.238520383835
CID:123159
PubChem ID:87760
Update Time:2025-04-18
Ethanethioic acid,S-[2-(dimethylamino)ethyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid,S-[2-(dimethylamino)ethyl] ester
- 2-(N,N-dimethylamino)ethyl thioacetate
- S-[2-(dimethylamino)ethyl] ethanethioate
- Ethanethioic acid, S-[2-(dimethylamino)ethyl] ester
- EINECS 242-524-4
- NS00048041
- S-(2-(Dimethylamino)ethyl)ethanethioate
- DTXSID5066401
- S-(2-(Dimethylamino)ethyl) ethanethioate
- Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester
- 18719-14-7
- S-[2-(Dimethylamino)ethyl] ethanethioate #
- WWQBUCLKROAZHO-UHFFFAOYSA-N
- SCHEMBL8376223
-
- Inchi： 1S/C6H13NOS/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3
- InChI Key： WWQBUCLKROAZHO-UHFFFAOYSA-N
- SMILES： S(C(C)=O)CCN(C)C
Computed Properties
- Exact Mass: 147.07178521g/mol
- Monoisotopic Mass: 147.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93.1
- 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: 0.7
- Topological Polar Surface Area: 45.6?2
Ethanethioic acid,S-[2-(dimethylamino)ethyl] ester Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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