Cas no 19643-31-3 (Me ester,bromide-2-(Dimethylsulfonio)acetic acid)
19643-31-3 structure
Product Name:Me ester,bromide-2-(Dimethylsulfonio)acetic acid
CAS No:19643-31-3
MF:C5H11BrO2S
MW:215.108639955521
CID:2019607
PubChem ID:22213807
Update Time:2025-04-21
Me ester,bromide-2-(Dimethylsulfonio)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- Me ester,bromide-2-(Dimethylsulfonio)acetic acid
- (2-Methoxy-2-oxoethyl)dimethylsulfoniumbromide
- 19643-31-3
- (2-Methoxy-2-oxoethyl)dimethylsulfonium bromide
-
- Inchi： 1S/C5H11O2S.BrH/c1-7-5(6)4-8(2)3;/h4H2,1-3H3;1H/q+1;/p-1
- InChI Key： KJAKHRJBGGSFLJ-UHFFFAOYSA-M
- SMILES： [Br-].COC(C[S+](C)C)=O
Computed Properties
- Exact Mass: 213.96631Da
- Monoisotopic Mass: 213.96631Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 80.5
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 27.3?2
Me ester,bromide-2-(Dimethylsulfonio)acetic acid Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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