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Tiopronin

CAT: 0572-TRC-T444780-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T444780-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1953-02-2
Synonyms
Tiopronin; 2-(2-Sulfanylpropanoylamino)acetic acid
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(S)C(=O)NCC(=O)O
Molecular Formula
C5 H9 N O3 S
Molecular Weight
163.19
InChI
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
Additionnal Information
IUPAC name: 2-(2-sulfanylpropanoylamino)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tiopronin

Tiopronin is a N-acyl-amino acid.

CAS Number1953-02-2
PubChem CID5483
IUPAC Name2-(2-sulfanylpropanoylamino)acetic acid
Molecular FormulaC5H9NO3S
Molecular Weight163.20
XLogP-0.1
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity148
SMILES
CC(C(=O)NCC(=O)O)S
InChI
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
InChIKey
YTGJWQPHMWSCST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tiopronin
CAS: 1953-02-2
CID: 5483
Formula: C5H9NO3S
MW: 163.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.20
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass163.03031432
Monoisotopic Mass163.03031432
Topological Polar Surface Area67.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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