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CAS No.: 7314-30-9
Name: dimethylpropiothetin
Article Data: 2
Molecular Structure:
Molecular Structure of 7314-30-9 (dimethylpropiothetin)
Formula: C5H10O2S
Molecular Weight: 134.20
Synonyms: Dimethylpropiothetin;3-Dimethylsulfoniopropionate;Dimethyl-beta-propiothetin;beta-Dimethylsulfoniopropionate;DMSP;
PSA: 65.43000
LogP: -0.99570
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Specification

The Sulfonium, (2-carboxyethyl)dimethyl-, hydroxide, inner salt with CAS registry number of 7314-30-9 is also known as Dimethylpropiothetin. The IUPAC name is 3-Dimethylsulfoniopropionate. In addition, the formula is C5H10O2S and the molecular weight is 134.20.

Physical properties about Sulfonium, (2-carboxyethyl)dimethyl-, hydroxide, inner salt are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 37.3Å2; (5)Exact Mass: 134.04015; (6)MonoIsotopic Mass: 134.04015; (7)Topological Polar Surface Area: 41.1; (8)Heavy Atom Count: 8; (9)Complexity: 75; (10)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
1. SMILES: [O-]C(=O)CC[S+](C)C
2. InChI: InChI=1/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3
3. InChIKey: DFPOZTRSOAQFIK-UHFFFAOYAW
4. Std. InChI: InChI=1S/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3
5. Std. InChIKey: DFPOZTRSOAQFIK-UHFFFAOYSA-N