Thiodiglycollic acid

CAT: 0931-T19746-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-T19746-02Size:500 mg

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CAS Number

123-93-3

Target

Others

Related Pathways

Others

Bioactivity

Thiodiglycollic acid is a ligand metabolite. It was found in the urine of humans exposed to vinyl chloride.

Smiles

OC(=O)CSCC(O)=O

Molecular Formula

C4H6O4S

Molecular Weight

150.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Thiodiglycolic acid

Thiodiacetic acid is a dicarboxylic acid.

CAS Number	123-93-3
PubChem CID	31277
IUPAC Name	2-(carboxymethylsulfanyl)acetic acid
Molecular Formula	C4H6O4S
Molecular Weight	150.16
XLogP	0.1
Topological Polar Surface Area	99.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	108

SMILES

C(C(=O)O)SCC(=O)O

InChI

InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

InChIKey

UVZICZIVKIMRNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-93-3

CID: 31277

Formula: C4H6O4S

MW: 150.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	150.16
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	149.99867984
Monoisotopic Mass	149.99867984
Topological Polar Surface Area	99.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
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

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Alternative Products

Catalog	Name
MBS5772127	Thiodiglycollic acid
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)

Thiodiglycollic acid

Chemical Information

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