Ethyl 1-propanesulfonate

CAT: 0127-OR1033346-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033346-01Size:100 mg

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CAS Number

91284-43-4

Purity

98%

Smiles

O=S(OCC)(CCC)=O

Chemical Information

1-Propanesulfonic acid, ethyl ester

CAS Number	91284-43-4
PubChem CID	150333
IUPAC Name	ethyl propane-1-sulfonate
Molecular Formula	C5H12O3S
Molecular Weight	152.21
XLogP	0.9
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	142

SMILES

CCCS(=O)(=O)OCC

InChI

InChI=1S/C5H12O3S/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3

InChIKey

DABYSJMCEKEQKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91284-43-4

CID: 150333

Formula: C5H12O3S

MW: 152.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.21
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	152.05071541
Monoisotopic Mass	152.05071541
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	142
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
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OR1067456-01	Sodium 2,3-dimercapto-1-propanesulfonate
OR1010713-01	3- (N, N-Dimethylpalmitylammonio) Propanesulfonate
OR322169-01	N-Dodecyl-n, n-dimethyl-3-ammonio-1-propanesulfonate
OR1051532	Ethyl 1-ethyl-4-oxocyclohexanecarboxylate
OR1043025-01	1-Ethyl-3-methylpyridinium Ethyl Sulfate
OR919806-01	1-Ethyl-1-phenylhydrazine
OR1092884	α-Ethyl-1-naphthalenemethanol
OR1002464-01	Ethyl 1-isobutyrylcyclopropanecarboxylate

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