Ethyl hydrogen sulfite

CAT: 1299-RG-E141413-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E141413-01Size:10 mg

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CAS Number

42761-68-2

Synonyms

Ethyl hydrogen sulfite

Molecular Formula

C2H6O3S

Molecular Weight

110.13

Chemical Information

(Ethoxysulfinyl)oxidanide

CAS Number	42761-68-2
PubChem CID	12658898
IUPAC Name	ethyl sulfite
Molecular Formula	C2H5O3S-
Molecular Weight	109.13
XLogP	-0.3
Topological Polar Surface Area	68.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	-1
Complexity	47

SMILES

CCOS(=O)[O-]

InChI

InChI=1S/C2H6O3S/c1-2-5-6(3)4/h2H2,1H3,(H,3,4)/p-1

InChIKey

VOTNXLNTNMCSTJ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 42761-68-2

CID: 12658898

Formula: C2H5O3S-

MW: 109.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	109.13
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	108.99594019
Monoisotopic Mass	108.99594019
Topological Polar Surface Area	68.6 Å²
Heavy Atom Count	6
Formal Charge	-1
Complexity	47.2
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
RG-E140861-01	Methyl hydrogen sulfite
RG-E200897-01	Ethyl Hydrogen Sulfate
RG-E082506-01	Ethyl Hydrogen Carbonate
RG-E140284-01	1-Ethyl hydrogen aspartate
RG-E140285-01	1-Ethyl hydrogen L-aspartate
RG-E242696-01	2- (dimethylamino) ethyl hexadecyl hydrogen phosphate
RG-B212039-01	Butyl Hydrogen Sulfate
RG-P181548-01	Propyl Hydrogen Sulfate
RG-A263167-01	Octyl Hydrogen Sulfate
RG-I191527-01	Isopropyl Hydrogen Sulfate

Catalog	Name
sc-250131	Hydrogen sulfite ionophore I
AR-O08877-01	Omeprazole Hydrogen Sulfite Impurity
10878741-1kg	Sodium bisulfite (Sodium hydrogen sulfite)
FE34925-01	Ethyl hydrogen malonate
sc-269168	Ethyl hydrogen sebacate
sc-486118	Ethyl Hydrogen Maleate
sc-269166	Ethyl hydrogen glutarate
E10900	Ethyl hydrogen adipate
TYD-02613-01	Ethyl hydrogen succinate
OR1013240-01	Ethyl Hydrogen Pimelate