2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate

C15H13O3S2- — CID 6930231

IUPAC2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate
SMILESCc1ccc(SCC(=O)c2ccc(CC(=O)[O-])s2)cc1
InChIInChI=1S/C15H14O3S2/c1-10-2-4-11(5-3-10)19-9-13(16)14-7-6-12(20-14)8-15(17)18/h2-7H,8-9H2,1H3,(H,17,18)/p-1
InChIKeyZMVCRIFYVTXPMQ-UHFFFAOYSA-M
MW305.40 g/mol
LogP2.32
Rot. Bonds6

About 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate

2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate (PubChem CID 6930231) has the molecular formula C15H13O3S2- and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Name2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate
PubChem CID6930231
Molecular FormulaC15H13O3S2-
Molecular Weight305.40 g/mol
Exact Mass305.03
IUPAC Name2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate
SMILESCc1ccc(SCC(=O)c2ccc(CC(=O)[O-])s2)cc1
InChIInChI=1S/C15H14O3S2/c1-10-2-4-11(5-3-10)19-9-13(16)14-7-6-12(20-14)8-15(17)18/h2-7H,8-9H2,1H3,(H,17,18)/p-1
InChIKeyZMVCRIFYVTXPMQ-UHFFFAOYSA-M
XLogP2.32
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 8673493
2-[5-[(E)-N-hydroxy-C-methylcarbonimidoyl]thiophen-2-yl]acetate
CID 7563867
2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
CID 43412629
2-(4-methylphenyl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 11449073
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
CID 43224978
1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 60659817
1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802208
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate?
The IUPAC name of 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate (CID 6930231) is 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate.
What is the SMILES notation for 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate?
The canonical SMILES for 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate is Cc1ccc(SCC(=O)c2ccc(CC(=O)[O-])s2)cc1.
What is the InChIKey of 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate?
The InChIKey is ZMVCRIFYVTXPMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14O3S2/c1-10-2-4-11(5-3-10)19-9-13(16)14-7-6-12(20-14)8-15(17)18/h2-7H,8-9H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate?
2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate has a molecular weight of 305.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate is sourced from PubChem (CID 6930231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).