1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone

C11H12O2S — CID 114744072

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C11H12O2S/c1-14-7-10(12)9-4-2-3-8-5-6-13-11(8)9/h2-4H,5-7H2,1H3
InChIKeyZKKYCYOCHXHDRA-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.17
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone (PubChem CID 114744072) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
PubChem CID114744072
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C11H12O2S/c1-14-7-10(12)9-4-2-3-8-5-6-13-11(8)9/h2-4H,5-7H2,1H3
InChIKeyZKKYCYOCHXHDRA-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone
CID 114744205
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
CID 105135090
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114744076
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone (CID 114744072) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone is CSCC(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone?
The InChIKey is ZKKYCYOCHXHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-14-7-10(12)9-4-2-3-8-5-6-13-11(8)9/h2-4H,5-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone has a molecular weight of 208.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 114744072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).