ω, ω'-Ethanedisulfidedisulfonic acid

CAT: 0024-sc-499116Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-499116Size:25 mg

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CAS Number

45127-11-5

Chemical Information

2,2'-Dithiodiethanesulfonic acid

CAS Number	45127-11-5
PubChem CID	65626
IUPAC Name	2-(2-sulfoethyldisulfanyl)ethanesulfonic acid
Molecular Formula	C4H10O6S4
Molecular Weight	282.4
XLogP	-1.3
Topological Polar Surface Area	176
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	295

SMILES

C(CS(=O)(=O)O)SSCCS(=O)(=O)O

InChI

InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

InChIKey

BYUKOOOZTSTOOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 45127-11-5

CID: 65626

Formula: C4H10O6S4

MW: 282.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.4
XLogP3	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	281.93602273
Monoisotopic Mass	281.93602273
Topological Polar Surface Area	176 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	295
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-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid
sc-221248	Aminomalonic Acid Bis (4-aminobutyric Acid) amide Trifluoroacetic Acid Salt

Catalog	Name
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)
BIM1576-01	Okadaic acid, free acid