ethyl 2-thiophen-2-ylsulfinylbutanoate

C10H14O3S2 — CID 64662688

IUPACethyl 2-thiophen-2-ylsulfinylbutanoate
SMILESCCOC(=O)C(CC)S(=O)c1cccs1
InChIInChI=1S/C10H14O3S2/c1-3-8(10(11)13-4-2)15(12)9-6-5-7-14-9/h5-8H,3-4H2,1-2H3
InChIKeyKVGHLBLLKRDIRI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-thiophen-2-ylsulfinylbutanoate

ethyl 2-thiophen-2-ylsulfinylbutanoate (PubChem CID 64662688) has the molecular formula C10H14O3S2 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethyl 2-thiophen-2-ylsulfinylbutanoate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-ylsulfinylbutanoate
PubChem CID64662688
Molecular FormulaC10H14O3S2
Molecular Weight246.35 g/mol
Exact Mass246.04
IUPAC Nameethyl 2-thiophen-2-ylsulfinylbutanoate
SMILESCCOC(=O)C(CC)S(=O)c1cccs1
InChIInChI=1S/C10H14O3S2/c1-3-8(10(11)13-4-2)15(12)9-6-5-7-14-9/h5-8H,3-4H2,1-2H3
InChIKeyKVGHLBLLKRDIRI-UHFFFAOYSA-N
XLogP2.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
ethyl 2-thiophen-2-ylsulfanylbutanoate
CID 64661658
3-thiophen-2-ylsulfinylpentan-1-amine
CID 81329352
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
ethyl (2S)-3-oxo-2-(thiophene-2-carbonyl)butanoate
CID 98044566
(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
CID 97325285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-ylsulfinylbutanoate?
The IUPAC name of ethyl 2-thiophen-2-ylsulfinylbutanoate (CID 64662688) is ethyl 2-thiophen-2-ylsulfinylbutanoate.
What is the SMILES notation for ethyl 2-thiophen-2-ylsulfinylbutanoate?
The canonical SMILES for ethyl 2-thiophen-2-ylsulfinylbutanoate is CCOC(=O)C(CC)S(=O)c1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-ylsulfinylbutanoate?
The InChIKey is KVGHLBLLKRDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S2/c1-3-8(10(11)13-4-2)15(12)9-6-5-7-14-9/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-thiophen-2-ylsulfinylbutanoate?
ethyl 2-thiophen-2-ylsulfinylbutanoate has a molecular weight of 246.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-ylsulfinylbutanoate is sourced from PubChem (CID 64662688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).