5-methylsulfanylthiophen-3-one

C5H6OS2 — CID 14200531

IUPAC5-methylsulfanylthiophen-3-one
SMILESCSC1=CC(=O)CS1
InChIInChI=1S/C5H6OS2/c1-7-5-2-4(6)3-8-5/h2H,3H2,1H3
InChIKeyRZXQZGYTSQHKKH-UHFFFAOYSA-N
MW146.24 g/mol
LogP1.51
Rot. Bonds1

About 5-methylsulfanylthiophen-3-one

5-methylsulfanylthiophen-3-one (PubChem CID 14200531) has the molecular formula C5H6OS2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 5-methylsulfanylthiophen-3-one.

Molecular Properties

Compound Name5-methylsulfanylthiophen-3-one
PubChem CID14200531
Molecular FormulaC5H6OS2
Molecular Weight146.24 g/mol
Exact Mass145.99
IUPAC Name5-methylsulfanylthiophen-3-one
SMILESCSC1=CC(=O)CS1
InChIInChI=1S/C5H6OS2/c1-7-5-2-4(6)3-8-5/h2H,3H2,1H3
InChIKeyRZXQZGYTSQHKKH-UHFFFAOYSA-N
XLogP1.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylthiophen-3-one?
The IUPAC name of 5-methylsulfanylthiophen-3-one (CID 14200531) is 5-methylsulfanylthiophen-3-one.
What is the SMILES notation for 5-methylsulfanylthiophen-3-one?
The canonical SMILES for 5-methylsulfanylthiophen-3-one is CSC1=CC(=O)CS1.
What is the InChIKey of 5-methylsulfanylthiophen-3-one?
The InChIKey is RZXQZGYTSQHKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS2/c1-7-5-2-4(6)3-8-5/h2H,3H2,1H3.
What are the key properties of 5-methylsulfanylthiophen-3-one?
5-methylsulfanylthiophen-3-one has a molecular weight of 146.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylthiophen-3-one is sourced from PubChem (CID 14200531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).