(2R)-2-sulfanylpropanoate

C3H5O2S- — CID 7057984

IUPAC(2R)-2-sulfanylpropanoate
SMILESC[C@@H](S)C(=O)[O-]
InChIInChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)/p-1/t2-/m1/s1
InChIKeyPMNLUUOXGOOLSP-UWTATZPHSA-M
MW105.14 g/mol
LogP-0.95
Rot. Bonds1

About (2R)-2-sulfanylpropanoate

(2R)-2-sulfanylpropanoate (PubChem CID 7057984) has the molecular formula C3H5O2S- and a molecular weight of 105.14 g/mol. Its IUPAC name is (2R)-2-sulfanylpropanoate.

Molecular Properties

Compound Name(2R)-2-sulfanylpropanoate
PubChem CID7057984
Molecular FormulaC3H5O2S-
Molecular Weight105.14 g/mol
Exact Mass105.00
IUPAC Name(2R)-2-sulfanylpropanoate
SMILESC[C@@H](S)C(=O)[O-]
InChIInChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)/p-1/t2-/m1/s1
InChIKeyPMNLUUOXGOOLSP-UWTATZPHSA-M
XLogP-0.95
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(+-)-2-Mercaptopropionic acid
CID 62326
Methyl 3-mercaptopropionate
CID 18050
Methyl 2-mercaptopropionate
CID 103858
3-Sulfanylpropanoate
CID 7057961
Sodium thiolactate
CID 23681555
Sulfoniopropionate
CID 129730658
(2R)-2-sulfanylpropanoic acid
CID 7057985
(2S)-2-mercaptopropanoic acid
CID 642233
Demethylsulfoniopropionate
CID 129829565
Propanoic acid, 3-mercapto-, potassium salt (1:1)
CID 23695308
3-Mercaptobutanoate
CID 18377884
Sodium 3-mercaptopropionate
CID 23714849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-sulfanylpropanoate?
The IUPAC name of (2R)-2-sulfanylpropanoate (CID 7057984) is (2R)-2-sulfanylpropanoate.
What is the SMILES notation for (2R)-2-sulfanylpropanoate?
The canonical SMILES for (2R)-2-sulfanylpropanoate is C[C@@H](S)C(=O)[O-].
What is the InChIKey of (2R)-2-sulfanylpropanoate?
The InChIKey is PMNLUUOXGOOLSP-UWTATZPHSA-M. The full InChI is InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)/p-1/t2-/m1/s1.
What are the key properties of (2R)-2-sulfanylpropanoate?
(2R)-2-sulfanylpropanoate has a molecular weight of 105.14 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-sulfanylpropanoate is sourced from PubChem (CID 7057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).