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3,3'-Thiodipropanoic acid

CAT: 0013-GTR19276551-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276551-01Size:50 mg
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Description
3,3'-Thiodipropanoic acid is a type of PROTAC linker used in the synthesis of PROTAC molecules.
CAS Number
111-17-1
Smiles
O=C (O) CCSCCC (=O) O
Molecular Formula
C6H10O4S
Molecular Weight
178.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiodipropionic Acid

3,3'-Thiobispropanoic acid is a dicarboxylic acid.

CAS Number111-17-1
PubChem CID8096
IUPAC Name3-(2-carboxyethylsulfanyl)propanoic acid
Molecular FormulaC6H10O4S
Molecular Weight178.21
XLogP-0.1
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
C(CSCCC(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey
ODJQKYXPKWQWNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiodipropionic Acid
CAS: 111-17-1
CID: 8096
Formula: C6H10O4S
MW: 178.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.21
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass178.02997997
Monoisotopic Mass178.02997997
Topological Polar Surface Area99.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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