methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate

C7H8O3S — CID 154577683

IUPACmethyl (2S)-2-hydroxy-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](O)c1ccsc1
InChIInChI=1S/C7H8O3S/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6,8H,1H3/t6-/m0/s1
InChIKeyNZCDRFOXNLBJNR-LURJTMIESA-N
MW172.20 g/mol
LogP0.95
Rot. Bonds2

About methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate

methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate (PubChem CID 154577683) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-thiophen-3-ylacetate
PubChem CID154577683
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Namemethyl (2S)-2-hydroxy-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](O)c1ccsc1
InChIInChI=1S/C7H8O3S/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6,8H,1H3/t6-/m0/s1
InChIKeyNZCDRFOXNLBJNR-LURJTMIESA-N
XLogP0.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate (CID 154577683) is methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate is COC(=O)[C@@H](O)c1ccsc1.
What is the InChIKey of methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate?
The InChIKey is NZCDRFOXNLBJNR-LURJTMIESA-N. The full InChI is InChI=1S/C7H8O3S/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6,8H,1H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate?
methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate has a molecular weight of 172.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-thiophen-3-ylacetate is sourced from PubChem (CID 154577683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).