1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone

C8H10OS2 — CID 2819796

IUPAC1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone
SMILESCSc1scc(C)c1C(C)=O
InChIInChI=1S/C8H10OS2/c1-5-4-11-8(10-3)7(5)6(2)9/h4H,1-3H3
InChIKeyOVMQBGWJZPONHM-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.98
Rot. Bonds2

About 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone

1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone (PubChem CID 2819796) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone
PubChem CID2819796
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone
SMILESCSc1scc(C)c1C(C)=O
InChIInChI=1S/C8H10OS2/c1-5-4-11-8(10-3)7(5)6(2)9/h4H,1-3H3
InChIKeyOVMQBGWJZPONHM-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone (CID 2819796) is 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone is CSc1scc(C)c1C(C)=O.
What is the InChIKey of 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone?
The InChIKey is OVMQBGWJZPONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2/c1-5-4-11-8(10-3)7(5)6(2)9/h4H,1-3H3.
What are the key properties of 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone?
1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone has a molecular weight of 186.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylsulfanylthiophen-3-yl)ethanone is sourced from PubChem (CID 2819796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).