ethyl (2R)-2-sulfanylpropanoate

C5H10O2S — CID 7364145

IUPACethyl (2R)-2-sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)S
InChIInChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3/t4-/m1/s1
InChIKeyLXXNWCFBZHKFPT-SCSAIBSYSA-N
MW134.20 g/mol
LogP0.87
Rot. Bonds2

About ethyl (2R)-2-sulfanylpropanoate

ethyl (2R)-2-sulfanylpropanoate (PubChem CID 7364145) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is ethyl (2R)-2-sulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-sulfanylpropanoate
PubChem CID7364145
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Nameethyl (2R)-2-sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)S
InChIInChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3/t4-/m1/s1
InChIKeyLXXNWCFBZHKFPT-SCSAIBSYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-sulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-sulfanylpropanoate (CID 7364145) is ethyl (2R)-2-sulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-sulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-sulfanylpropanoate is CCOC(=O)[C@@H](C)S.
What is the InChIKey of ethyl (2R)-2-sulfanylpropanoate?
The InChIKey is LXXNWCFBZHKFPT-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of ethyl (2R)-2-sulfanylpropanoate?
ethyl (2R)-2-sulfanylpropanoate has a molecular weight of 134.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-sulfanylpropanoate is sourced from PubChem (CID 7364145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).