(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one

C9H8O2S — CID 70686795

IUPAC(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one
SMILESCC1=C[C@@H](c2cccs2)OC1=O
InChIInChI=1S/C9H8O2S/c1-6-5-7(11-9(6)10)8-3-2-4-12-8/h2-5,7H,1H3/t7-/m0/s1
InChIKeyLOOUBTVRWGRBJI-ZETCQYMHSA-N
MW180.23 g/mol
LogP2.29
Rot. Bonds1

About (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one

(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one (PubChem CID 70686795) has the molecular formula C9H8O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one
PubChem CID70686795
Molecular FormulaC9H8O2S
Molecular Weight180.23 g/mol
Exact Mass180.02
IUPAC Name(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one
SMILESCC1=C[C@@H](c2cccs2)OC1=O
InChIInChI=1S/C9H8O2S/c1-6-5-7(11-9(6)10)8-3-2-4-12-8/h2-5,7H,1H3/t7-/m0/s1
InChIKeyLOOUBTVRWGRBJI-ZETCQYMHSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one?
The IUPAC name of (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one (CID 70686795) is (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one?
The canonical SMILES for (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one is CC1=C[C@@H](c2cccs2)OC1=O.
What is the InChIKey of (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one?
The InChIKey is LOOUBTVRWGRBJI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8O2S/c1-6-5-7(11-9(6)10)8-3-2-4-12-8/h2-5,7H,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one?
(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one has a molecular weight of 180.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 70686795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).