CAS
94023-68-4 Purity
96%
94023-68-4 Purity
96%
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[(2-Carboxyethoxy)methyl]dimethylsulfonium bromide
CAS
94023-71-9
Catalog Number
ACM94023719
Category
Other Products
Molecular Weight
245.13462
Molecular Formula
C6H13O3S.Br
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Specification
Synonyms
EINECS 301-669-4, CID3023347, ((2-Carboxyethoxy)methyl)dimethylsulphonium bromide, 94023-71-9
IUPAC Name
2-carboxyethyloxymethyl(dimethyl)sulfanium bromide
Canonical SMILES
C[S+](C)COCCC(=O)O.[Br-]
InChI Key
DQHDXZOADKGAAC-UHFFFAOYSA-N
Density
g/cm³
EC Number
301-669-4
Exact Mass
243.97700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
The molecular formula is C6H13BrO3S.
When was [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide created?
It was created on 2005-08-08.
What is the computed IUPAC name of [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
The computed IUPAC name is 2-carboxyethoxymethyl(dimethyl)sulfanium;bromide.
What is the InChIKey of [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
The InChIKey is DQHDXZOADKGAAC-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
There is 1 hydrogen bond donor count.
What is the exact mass of [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
The exact mass is 243.97688 g/mol.
How many rotatable bond counts are there in [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
There are 5 rotatable bond counts.
What is the topological polar surface area of [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
The topological polar surface area is 47.5 Ų.
How many defined bond stereocenter counts are there in [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide?
There are 0 defined bond stereocenter counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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