AG00I8MD

4727-41-7 | Sulfonium, (carboxymethyl)dimethyl-, inner salt

AG00I8MD

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CAS Number	4727-41-7
Catalog Number	AG00I8MD(AGN-PC-0RV094)
Chemical Name	Sulfonium, (carboxymethyl)dimethyl-, inner salt
IUPAC Name	2-dimethylsulfonioacetate
InChI	InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3
InChI Key	PSBDWGZCVUAZQS-UHFFFAOYSA-N
MDL Number	MFCD27978701
Molecular Formula	C4H8O2S
Molecular Weight	120.1701
SMILES	[O-]C(=O)C[S+](C)C
UNII	8CVU22OCJW
Synonyms	2-dimethylsulfonioacetate, dimethylsulfonioacetate, Sulfobetaine, 4727-41-7, Dimethylsulfonioacetate, (dimethylsulfonio)acetate, thetin, UNII-8CVU22OCJW, 8CVU22OCJW, AK543883, Sulfonium,(carboxymethyl)dimethyl-, inner salt, CCRIS 5467, 2-dimethylsulfonioacetate, 2-Dimethyl sulfonioacetate, AC1L4O7O, AC1Q22BY, SCHEMBL285352, carboxymethyl-dimethyl-sulfonium, CHEBI:16471, CTK4I9810, KS-00000TOC, DTXSID60197081, Sulfonium, (carboxymethyl)dimethyl-, hydroxide, inner salt, MFCD27978701, AKOS030524053, ACM4727417, AM90363, FCH3813847, DS-19261, SC-72907, FT-0698446, Sulfonium, (carboxymethyl)dimethyl-, inner salt, CIEC, C4-H8-O2-S, KST-1A5758, KST-1A5759, AR-1A7574, AR-1A7575, CID160765, 5439-17-8, 5439-22-5,

Complexity	64.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.025g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.166g/mol
Monoisotopic Mass	120.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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