Cas no 53281-00-8 (2-Propenoic acid, mercaptomethyl ester)
53281-00-8 structure
Product Name:2-Propenoic acid, mercaptomethyl ester
CAS No:53281-00-8
MF:C4H6O2S
MW:118.154240131378
CID:336079
PubChem ID:58004925
Update Time:2025-04-19
2-Propenoic acid, mercaptomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, mercaptomethyl ester
- sulfanylmethyl prop-2-enoate
- 53281-00-8
- SCHEMBL12506230
- DTXSID10728602
-
- Inchi： 1S/C4H6O2S/c1-2-4(5)6-3-7/h2,7H,1,3H2
- InChI Key： MDQADFZEASZBND-UHFFFAOYSA-N
- SMILES： SCOC(C=C)=O
Computed Properties
- Exact Mass: 118.00885060g/mol
- Monoisotopic Mass: 118.00885060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 79.8
- 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: 1.3
- Topological Polar Surface Area: 27.3?2
2-Propenoic acid, mercaptomethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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