Ethyl 3-Mercaptopropionate

CAT: 0127-OR1013185-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1013185-01Size:25 g

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CAS Number

5466-06-8

MDL Number

MFCD00004896

Purity

98%

Smiles

CCOC(=O)CCS

Chemical Information

Ethyl 3-mercaptopropionate

Ethyl 3-mercaptopropanoic acid is a carboxylic ester.

CAS Number	5466-06-8
PubChem CID	21625
IUPAC Name	ethyl 3-sulfanylpropanoate
Molecular Formula	C5H10O2S
Molecular Weight	134.20
XLogP	0.7
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

CCOC(=O)CCS

InChI

InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3

InChIKey

CJQWLNNCQIHKHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5466-06-8

CID: 21625

Formula: C5H10O2S

MW: 134.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.20
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	134.04015073
Monoisotopic Mass	134.04015073
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
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
OR1028333	Octadecyl 3-Mercaptopropionate
OR1078765-01	Isopropyl 3-Mercaptopropionate
OR1028957-01	3-Methoxybutyl 3-Mercaptopropionate
OR1030313-01	Butyl3-Mercaptopropionate
OR1014588-01	Pentaerythritol tetra (3-mercaptopropionate)
OR1004233-01	N-Propyl 3-Mercaptopropionate
OR51908-01	Trimethylolpropane tris (3-mercaptopropionate)
OR1012976-01	Dipentaerythritol Hexakis (3-Mercaptopropionate)
OR1014589-01	Pentaerythritol Tetra (3-Mercaptopropionate)
OR1043612-01	2-Hydroxyethyl 3-Mercaptopropionate

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