Cas no 63512-62-9 (S-[2-(dimethylamino)ethyl] butanethioate)
![S-[2-(dimethylamino)ethyl] butanethioate structure](https://ossimg.kuujia.com/scimg/64000/63512-62-9x500.png)
63512-62-9 structure
Product Name:S-[2-(dimethylamino)ethyl] butanethioate
CAS No:63512-62-9
MF:C8H17NOS
MW:175.291681051254
CID:960382
PubChem ID:113320
Update Time:2025-04-19
S-[2-(dimethylamino)ethyl] butanethioate Chemical and Physical Properties
Names and Identifiers
-
- S-[2-(dimethylamino)ethyl] butanethioate
- Butanethioic acid, S-(2-(dimethylamino)ethyl) ester
- S-(2-(Dimethylamino)ethyl) butanethioate
- DTXSID9069922
- DSJJEJHMVGHXTN-UHFFFAOYSA-N
- NS00035484
- DB-221820
- EINECS 264-289-7
- 63512-62-9
- Butanethioic acid, S-[2-(dimethylamino)ethyl] ester
-
- Inchi： 1S/C8H17NOS/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3
- InChI Key： DSJJEJHMVGHXTN-UHFFFAOYSA-N
- SMILES： S(C(CCC)=O)CCN(C)C
Computed Properties
- Exact Mass: 175.10321
- Monoisotopic Mass: 175.103
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 115
- 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: 1.5
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- Density: 0.979
- Boiling Point: 221.3°C at 760 mmHg
- Flash Point: 87.6°C
- Refractive Index: 1.48
- PSA: 20.31
S-[2-(dimethylamino)ethyl] butanethioate Related Literature
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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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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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