Cas no 548761-51-9 (Propanoic acid, 2-[[(diethylamino)thioxomethyl]thio]-2-methyl-)
![Propanoic acid, 2-[[(diethylamino)thioxomethyl]thio]-2-methyl- structure](https://ossimg.kuujia.com/scimg/549000/548761-51-9x500.png)
548761-51-9 structure
Product Name:Propanoic acid, 2-[[(diethylamino)thioxomethyl]thio]-2-methyl-
CAS No:548761-51-9
MF:C9H17NO2S2
MW:235.366780042648
CID:353459
PubChem ID:24906037
Update Time:2025-04-19
Propanoic acid, 2-[[(diethylamino)thioxomethyl]thio]-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-[[(diethylamino)thioxomethyl]thio]-2-methyl-
- 2-(diethylcarbamothioylsulfanyl)-2-methylpropanoic acid
- SCHEMBL760254
- DTXSID10648013
- 548761-51-9
- 2-[(Diethylcarbamothioyl)sulfanyl]-2-methylpropanoic acid
-
- Inchi： 1S/C9H17NO2S2/c1-5-10(6-2)8(13)14-9(3,4)7(11)12/h5-6H2,1-4H3,(H,11,12)
- InChI Key： DLRGQJHYISTIII-UHFFFAOYSA-N
- SMILES： S(C(N(CC)CC)=S)C(C(=O)O)(C)C
Computed Properties
- Exact Mass: 235.07021
- Monoisotopic Mass: 235.07007113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 225
- 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: 97.9?2
Experimental Properties
- PSA: 40.54
Propanoic acid, 2-[[(diethylamino)thioxomethyl]thio]-2-methyl- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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