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(Methylthio) acetic acid

CAT: 0127-OR4573Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2444-37-3
Synonyms
(Methylsulphanyl) acetic acid, 2- (Methylthio) ethanoic acid
MDL Number
MFCD00075444
Purity
97%
Smiles
CSCC(=O)O
Storage Conditions
Store at 2-8°C

Chemical Information

(Methylthio)acetic acid

(methylthio)acetic acid is a sulfur-containing carboxylic consisting of thioglycolic acid carrying an S-methyl substituent. It has a role as a xenobiotic metabolite. It is a monocarboxylic acid, a sulfur-containing carboxylic acid and a methyl sulfide. It is functionally related to a thioglycolic acid. It is a conjugate acid of a (methylthio)acetate.

CAS Number2444-37-3
PubChem CID75551
IUPAC Name2-methylsulfanylacetic acid
Molecular FormulaC3H6O2S
Molecular Weight106.15
XLogP0.5
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity52
SMILES
CSCC(=O)O
InChI
InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
HGTBAIVLETUVCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Methylthio)acetic acid
CAS: 2444-37-3
CID: 75551
Formula: C3H6O2S
MW: 106.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.15
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass106.00885060
Monoisotopic Mass106.00885060
Topological Polar Surface Area62.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
2444-37-3(METHYLTHIO) ACETIC ACID
TAA698733- (Methylthio) phenyl acetic acid
sc-314975[4- (Methylthio) phenoxy]acetic acid
sc-334870[2- (Methylthio) -1H-benzimidazol-1-yl]acetic acid
TRC-H943290-100MG2-(Hydroxyimino)-2-(methylthio)acetic Acid Methyl Ester
sc-348370A({[4- (methylthio) -3-nitrophenyl]sulfonyl}amino) acetic acid
sc-4905762- (Hydroxyimino) -2- (methylthio) acetic Acid Methyl Ester
sc-340820A{2-[ (methylthio) methyl]-1H-benzimidazol-1-yl}acetic acid
sc-349599[4-methyl-2- (methylthio) -1,3-thiazol-5-yl]acetic acid
sc-334871[2- (Methylthio) -4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

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