2,2'-Sulfonyldiethanol solution

CAT: 0024-sc-225583Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-225583Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2580-77-0

Chemical Information

beta-Hydroxyethyl sulfone

metabolite of sulfur mustard

CAS Number	2580-77-0
PubChem CID	92933
IUPAC Name	2-(2-hydroxyethylsulfonyl)ethanol
Molecular Formula	C4H10O4S
Molecular Weight	154.19
XLogP	-1.8
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	130

SMILES

C(CS(=O)(=O)CCO)O

InChI

InChI=1S/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2

InChIKey

QQLILYBIARWEIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2580-77-0

CID: 92933

Formula: C4H10O4S

MW: 154.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.19
XLogP3	-1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	154.02997997
Monoisotopic Mass	154.02997997
Topological Polar Surface Area	83 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	130
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-238226	2,2-Dimethoxyacetaldehyde solution
sc-256262	2,2,2-Trifluoroethylhydrazine solution
sc-291918	Azide, 2% solution
sc-251786	2-Methylisoborneol solution
sc-291918A	Azide, 2% solution
sc-238020	2-Dimethylamino-2-methylpropanol solution
sc-230293	2-Ethylphenylzinc iodide solution
sc-230473	2-Methoxybenzylmagnesium chloride solution
sc-225506	2-Naphthylmagnesium bromide solution
sc-230207	2-Chlorobenzylzinc chloride solution

Catalog	Name
OR1009924-01	2,2’-Sulfonyldiethanol Solution
FS183913	2,2-Sulfonyldiethanol , 65% aqueous solution
FS0102-01	Fehlings Solution No. 2
IBS-BG008	2％ Gelatin solution
G3005-01	TTC Solution, 2%
RRSP514-C	Rhodanine Solution 2%
IBS-BG008-1	2% Gelatin solution
GW5599-1mg	DAR-2 Solution
852070	JSBStain Solution No. 2
A0114	2% Bisacrylamide Solution