Cas no 221051-00-9 (Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]-)
![Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]- structure](https://ossimg.kuujia.com/scimg/221500/221051-00-9x500.png)
221051-00-9 structure
Product Name:Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]-
CAS No:221051-00-9
MF:C9H11NOS2
MW:213.319739580154
CID:1406578
PubChem ID:71358145
Update Time:2025-04-20
Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]-
- N-(2-methylsulfanylphenyl)-2-sulfanylacetamide
- N-[2-(Methylsulfanyl)phenyl]-2-sulfanylacetamide
- 221051-00-9
- N-(o-methylthiophenyl)--mercaptoacetamide
- DTXSID10782168
-
- Inchi： 1S/C9H11NOS2/c1-13-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3,(H,10,11)
- InChI Key： PUCALJVGIDKMGV-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC=CC=1NC(CS)=O
Computed Properties
- Exact Mass: 213.02833
- Monoisotopic Mass: 213.02820632g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 1.8
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 29.1
Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
221051-00-9 (Acetamide, 2-mercapto-N-[2-(methylthio)phenyl]-) Related Products
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