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3-Mercaptopropionic acid

CAT: 0931-T66905-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T66905-02Size:5 g
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CAS Number
107-96-0
Target
Others
Related Pathways
Others
Purity
0.9629
Bioactivity
3-Mercaptopropionic acid (3-Sulfanylpropanoic acid) is an intermediate in the metabolism of organosulfur in the natural environment and is commonly used in nanoparticles.
Smiles
OC(=O)CCS
Molecular Formula
C3H6O2S
Molecular Weight
106.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Mercaptopropionic Acid

3-mercaptopropanoic acid is a mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. It has a role as an algal metabolite. It is a conjugate acid of a 3-mercaptopropionate.

CAS Number107-96-0
PubChem CID6514
IUPAC Name3-sulfanylpropanoic acid
Molecular FormulaC3H6O2S
Molecular Weight106.15
XLogP0.4
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity52
SMILES
C(CS)C(=O)O
InChI
InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Mercaptopropionic Acid
CAS: 107-96-0
CID: 6514
Formula: C3H6O2S
MW: 106.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.15
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass106.00885060
Monoisotopic Mass106.00885060
Topological Polar Surface Area38.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
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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