2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone

C11H16OS2 — CID 107752740

IUPAC2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
SMILESCCC(C)CSCC(=O)c1cccs1
InChIInChI=1S/C11H16OS2/c1-3-9(2)7-13-8-10(12)11-5-4-6-14-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyDJIUPBVDCJYNBB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.71
Rot. Bonds6

About 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone

2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone (PubChem CID 107752740) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
PubChem CID107752740
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
SMILESCCC(C)CSCC(=O)c1cccs1
InChIInChI=1S/C11H16OS2/c1-3-9(2)7-13-8-10(12)11-5-4-6-14-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyDJIUPBVDCJYNBB-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone
CID 43801592
1-thiophen-2-ylpropan-1-one
CID 26179
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
3-(2-oxo-2-thiophen-2-ylethyl)sulfanylpropanoic acid
CID 71162297
3-methyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylbutanoic acid
CID 82182801
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
2-(2-methylbutylsulfanyl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103749727
4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583
CID 134847075
CID 134847075
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone (CID 107752740) is 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone is CCC(C)CSCC(=O)c1cccs1.
What is the InChIKey of 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone?
The InChIKey is DJIUPBVDCJYNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS2/c1-3-9(2)7-13-8-10(12)11-5-4-6-14-11/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone?
2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone has a molecular weight of 228.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 107752740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).