2-Methyl-3-(methylthio)propanoic Acid - CAS 62574-23-6

Name: 2-Methyl-3-(methylthio)propanoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059558
Product Name:	2-Methyl-3-(methylthio)propanoic Acid
CAS:	62574-23-6
Synonyms:	2-Methyl-3-(methylsulfanyl)propionic Acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-methyl-3-methylsulfanylpropanoic acid
Description:	2-Methyl-3-(methylthio)propanoic Acid is a derivative of Methionine (M260440), an essential amino acid for human development.
Molecular Weight:	134.2
Molecular Formula:	C5H10O2S
Canonical SMILES:	CC(CSC)C(=O)O
InChI:	InChI=1S/C5H10O2S/c1-4(3-8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:	LJGHYEQLQGHZJS-UHFFFAOYSA-N
References:	Windschiti, P.M., et al. J. Animal. Sci., 66, 2937 (1988).

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	82.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.04015073
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.04015073
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9