Cas no 53501-90-9 (Ethanesulfonic acid,2-(methylthio)-)
53501-90-9 structure
Product Name:Ethanesulfonic acid,2-(methylthio)-
Ethanesulfonic acid,2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanesulfonic acid,2-(methylthio)-
- 2-methylsulfanylethanesulfonic acid
- methyl coenzyme M
- methylcoenzyme M
- C03920
- metilcoenzima M
- ethanesulfonic acid, 2-(methylthio)-
- SCHEMBL84504
- Methylcoenzym M
- DTXSID00201717
- CHEBI:17827
- methyl-CoM
- Methyl-coenzyme M
- Q27102650
- Methyl com
- 2-(Methylthio)ethanesulfonic acid
- 53501-90-9
- 2-(Methylthio)-aethansulfonsaeure
- 2-(methylsulfanyl)ethanesulfonic acid
- 2-(methylthio)ethanesulfonate
- CH3-S-Coenzyme M
-
- Inchi： 1S/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)
- InChI Key： FGMRHOCVEPGURB-UHFFFAOYSA-N
- SMILES： S(CCSC)(=O)(=O)O
Computed Properties
- Exact Mass: 155.99154
- Monoisotopic Mass: 155.99148646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 131
- 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: -0.2
- Topological Polar Surface Area: 88?2
Experimental Properties
- PSA: 54.37
Ethanesulfonic acid,2-(methylthio)- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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