Methyl 2-(methylthio)propionate - CAS 61366-76-5

Catalog:	BB053840
Product Name:	Methyl 2-(methylthio)propionate
CAS:	61366-76-5
Synonyms:	Propanoic acid, 2-(methylthio)-, methyl ester; Methyl 2-(methylthio)propanoate

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	33178-98-2 (R-isomer)
IUPAC Name:	methyl 2-methylsulfanylpropanoate
Molecular Weight:	134.20
Molecular Formula:	C5H10O2S
Canonical SMILES:	CC(C(=O)OC)SC
InChI:	InChI=1S/C5H10O2S/c1-4(8-3)5(6)7-2/h4H,1-3H3
InChI Key:	QMPSBIWJVUCDKV-UHFFFAOYSA-N
Boiling Point:	157.6±23.0°C at 760 Torr
Density:	1.041±0.06 g/cm3

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Related Functional Groups

Carbonyl Compounds

[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[4313-03-5]
2,4-Heptadienal
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[606-18-8]
2-Amino-3-nitrobenzoic Acid

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

GHS Hazard Statement:	H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]; H227 (50%): Combustible liquid [Warning Flammable liquids]; H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.04015073
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2