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Structure

(2-Carboxyethyl)dimethylsulfonium chloride

CAS
4337-33-1
Catalog Number
ACM4337331
Category
Other Products
Molecular Weight
170.66g/mol
Molecular Formula
C5H11ClO2S

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Specification

IUPAC Name
2-carboxyethyl(dimethyl)sulfanium;chloride
Canonical SMILES
C[S+](C)CCC(=O)O.[Cl-]
InChI
InChI=1S/C5H10O2S.ClH/c1-8(2)4-3-5(6)7;/h3-4H2,1-2H3;1H
InChI Key
RRUMKKGRKSSZKY-UHFFFAOYSA-N
Complexity
80.5
Covalently-Bonded Unit Count
2
Exact Mass
170.016829g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
9
Monoisotopic Mass
170.016829g/mol
NSC Number
83252
Rotatable Bond Count
3
UNII
6GDD2X927T
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