Methyl (methylthio) acetate

CAT: 0024-sc-253013Size: 10 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-253013Size:10 mL

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CAS Number

16630-66-3

Chemical Information

Methyl (methylthio)acetate

Methyl 2-(methylthio)acetate is a carboxylic ester.

CAS Number	16630-66-3
PubChem CID	85522
IUPAC Name	methyl 2-methylsulfanylacetate
Molecular Formula	C4H8O2S
Molecular Weight	120.17
XLogP	0.8
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	62

SMILES

COC(=O)CSC

InChI

InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3

InChIKey

HZYCAKGEXXKCDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16630-66-3

CID: 85522

Formula: C4H8O2S

MW: 120.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.17
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	120.02450067
Monoisotopic Mass	120.02450067
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	62.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255141	Ethyl (methylthio) acetate
sc-485756	3- (Methylthio) propyl Acetate
sc-358332	Methyl 4-[ (methylthio) methyl]benzoate
sc-358332A	Methyl 4-[ (methylthio) methyl]benzoate
sc-211875	Methyl acetate
sc-211875A	Methyl acetate
sc-263490	Methyl 2- (methylthio) benzoate
sc-269413	Methyl 2- (methylthio) propionate
sc-484295	O- (Methylthio) methyl Triptolide
sc-228520	Methyl 3- (methylthio) propionate

Catalog	Name
454594-01	Methyl (Methylthio) acetate
OR922368-01	Ethyl (methylthio) acetate
275539-01	Ethyl 2- (methylthio) acetate
OR925951-01	3- (Methylthio) propyl acetate
OR26323	Methyl (methylthio) methyl sulphone
MBS5800832	Methyl acetate-PEG1-methyl acetate
OR1076863-01	(Methylthio) Methyl Butyrate
OR23839	3- (methylthio) -2-[ (methylthio) methyl]propanenitrile
OR1100612-01	1- (Methylthio) -4-[ (methylthio) methyl]benzene
OR1100759-01	Methyl 3-[ (methylthio) methyl]benzoate