Cas no 88595-29-3 (1H-Pyrrole-2,5-dione, 1-(2-mercaptoethyl)-3,4-dimethyl-)
88595-29-3 structure
Product Name:1H-Pyrrole-2,5-dione, 1-(2-mercaptoethyl)-3,4-dimethyl-
CAS No:88595-29-3
MF:C8H11NO2S
MW:185.24344086647
CID:627568
PubChem ID:20218106
Update Time:2025-04-19
1H-Pyrrole-2,5-dione, 1-(2-mercaptoethyl)-3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,5-dione, 1-(2-mercaptoethyl)-3,4-dimethyl-
- 3,4-dimethyl-1-(2-sulfanylethyl)pyrrole-2,5-dione
- 3,4-Dimethyl-1-(2-sulfanylethyl)-1H-pyrrole-2,5-dione
- SCHEMBL10795789
- 88595-29-3
- DTXSID80603730
-
- Inchi： 1S/C8H11NO2S/c1-5-6(2)8(11)9(3-4-12)7(5)10/h12H,3-4H2,1-2H3
- InChI Key： KVVMTGGCEQVCMM-UHFFFAOYSA-N
- SMILES： SCCN1C(C(C)=C(C)C1=O)=O
Computed Properties
- Exact Mass: 185.05104977g/mol
- Monoisotopic Mass: 185.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 246
- 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
- Topological Polar Surface Area: 38.4?2
1H-Pyrrole-2,5-dione, 1-(2-mercaptoethyl)-3,4-dimethyl- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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