ethyl 2-thiophen-2-ylsulfanylbutanoate

C10H14O2S2 — CID 64661658

IUPACethyl 2-thiophen-2-ylsulfanylbutanoate
SMILESCCOC(=O)C(CC)Sc1cccs1
InChIInChI=1S/C10H14O2S2/c1-3-8(10(11)12-4-2)14-9-6-5-7-13-9/h5-8H,3-4H2,1-2H3
InChIKeyYYRXCSHHMMACFS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.18
Rot. Bonds5

About ethyl 2-thiophen-2-ylsulfanylbutanoate

ethyl 2-thiophen-2-ylsulfanylbutanoate (PubChem CID 64661658) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl 2-thiophen-2-ylsulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-ylsulfanylbutanoate
PubChem CID64661658
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Nameethyl 2-thiophen-2-ylsulfanylbutanoate
SMILESCCOC(=O)C(CC)Sc1cccs1
InChIInChI=1S/C10H14O2S2/c1-3-8(10(11)12-4-2)14-9-6-5-7-13-9/h5-8H,3-4H2,1-2H3
InChIKeyYYRXCSHHMMACFS-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-ylsulfanylbutanoate?
The IUPAC name of ethyl 2-thiophen-2-ylsulfanylbutanoate (CID 64661658) is ethyl 2-thiophen-2-ylsulfanylbutanoate.
What is the SMILES notation for ethyl 2-thiophen-2-ylsulfanylbutanoate?
The canonical SMILES for ethyl 2-thiophen-2-ylsulfanylbutanoate is CCOC(=O)C(CC)Sc1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-ylsulfanylbutanoate?
The InChIKey is YYRXCSHHMMACFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-3-8(10(11)12-4-2)14-9-6-5-7-13-9/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-thiophen-2-ylsulfanylbutanoate?
ethyl 2-thiophen-2-ylsulfanylbutanoate has a molecular weight of 230.35 g/mol, XLogP of 3.18, 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-ylsulfanylbutanoate is sourced from PubChem (CID 64661658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).