Ethyl 2-mercaptopropionate

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CAT#:0024-sc-269028Size:5 g

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CAS Number

19788-49-9

Chemical Information

Ethyl 2-mercaptopropionate

Ethyl 2-mercaptopropionate is a carboxylic ester.

CAS Number	19788-49-9
PubChem CID	519709
IUPAC Name	ethyl 2-sulfanylpropanoate
Molecular Formula	C5H10O2S
Molecular Weight	134.20
XLogP	1.2
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCOC(=O)C(C)S

InChI

InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3

InChIKey

LXXNWCFBZHKFPT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19788-49-9

CID: 519709

Formula: C5H10O2S

MW: 134.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.20
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	134.04015073
Monoisotopic Mass	134.04015073
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-486064	Ethyl 3-Mercaptopropionate
sc-486404	2-Ethylhexyl 3-Mercaptopropionate
sc-486181	Isopropyl 3-Mercaptopropionate
sc-255279	Methyl 3-mercaptopropionate
sc-255279A	Methyl 3-mercaptopropionate
sc-396842	Butyl 3-mercaptopropionate
sc-489041	Octadecyl 3-Mercaptopropionate
sc-269887	N-Propyl 3-mercaptopropionate
sc-486284	3-Methoxybutyl 3-Mercaptopropionate
sc-485372A	Pentaerythritol Tetra (3-mercaptopropionate)

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