Cas no 110225-60-0 (Propanamide,N-(2-hydroxyethyl)-3,3-bis(methylthio)-)
110225-60-0 structure
Product Name:Propanamide,N-(2-hydroxyethyl)-3,3-bis(methylthio)-
CAS No:110225-60-0
MF:C7H15NO2S2
MW:209.329499483109
CID:218413
PubChem ID:3035981
Update Time:2025-04-19
Propanamide,N-(2-hydroxyethyl)-3,3-bis(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide,N-(2-hydroxyethyl)-3,3-bis(methylthio)-
- entadamide B
- N-(2-hydroxyethyl)-3,3-bis(methylsulfanyl)propanamide
- N-(2-Hydroxyethyl)-3,3-bis(methylthio)propanamide
- Propanamide, N-(2-hydroethyl)-3,3-bis(methylthio)-
- SCHEMBL10626630
- 110225-60-0
- DTXSID00149180
-
- Inchi： 1S/C7H15NO2S2/c1-11-7(12-2)5-6(10)8-3-4-9/h7,9H,3-5H2,1-2H3,(H,8,10)
- InChI Key： YACJUWJRBSAQIG-UHFFFAOYSA-N
- SMILES： S(C)C(CC(NCCO)=O)SC
Computed Properties
- Exact Mass: 209.05455
- Monoisotopic Mass: 209.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 129
- 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: 0.3
- Topological Polar Surface Area: 99.9?2
Experimental Properties
- Density: 1.19
- Boiling Point: 437.8°Cat760mmHg
- Flash Point: 218.6°C
- Refractive Index: 1.544
- PSA: 49.33
Propanamide,N-(2-hydroxyethyl)-3,3-bis(methylthio)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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