Dimercaptosuccinic acid

CAT: 0024-sc-337668Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-337668Size:10 g

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CAS Number

2418-14-6

Chemical Information

Dimercaptosuccinic Acid

CAS Number	2418-14-6
PubChem CID	9354
IUPAC Name	2,3-bis(sulfanyl)butanedioic acid
Molecular Formula	C4H6O4S2
Molecular Weight	182.2
XLogP	0.1
Topological Polar Surface Area	76.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	139

SMILES

C(C(C(=O)O)S)(C(=O)O)S

InChI

InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)

InChIKey

ACTRVOBWPAIOHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2418-14-6

CID: 9354

Formula: C4H6O4S2

MW: 182.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.2
XLogP3	0.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	181.97075102
Monoisotopic Mass	181.97075102
Topological Polar Surface Area	76.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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
FD164695-01	Dimercaptosuccinic acid
TRC-D486595-1G	2,3-Dimercaptosuccinic Acid
TRC-D555620-5MG	rac-2,3-Dimercaptosuccinic Acid
TRC-D446740-50G	meso-2,3-Dimercaptosuccinic Acid
OR40617	Meso-2,3, -Dimercaptosuccinic acid
164855-01	Meso-2,3-Dimercaptosuccinic Acid (DMSA)
454387-01	Meso-2,3-Dimercaptosuccinic Acid-1,4-13C2
10232-01	2,3-Dimercaptosuccinic Acid (DMSA, Succimer) extrapure, 98%
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)