1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone

C13H12O2S — CID 60892791

IUPAC1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone
SMILESCc1ccccc1SCC(=O)c1ccco1
InChIInChI=1S/C13H12O2S/c1-10-5-2-3-7-13(10)16-9-11(14)12-6-4-8-15-12/h2-8H,9H2,1H3
InChIKeyDIFGRBWMZRPYHZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.56
Rot. Bonds4

About 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone

1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone (PubChem CID 60892791) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone
PubChem CID60892791
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone
SMILESCc1ccccc1SCC(=O)c1ccco1
InChIInChI=1S/C13H12O2S/c1-10-5-2-3-7-13(10)16-9-11(14)12-6-4-8-15-12/h2-8H,9H2,1H3
InChIKeyDIFGRBWMZRPYHZ-UHFFFAOYSA-N
XLogP3.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
2-(2,3-dihydroxypropylsulfanyl)-1-(furan-2-yl)ethanone
CID 79682024
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 66095873
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
2-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylacetic acid
CID 71680534
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylethanone
CID 61230240
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone (CID 60892791) is 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone is Cc1ccccc1SCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone?
The InChIKey is DIFGRBWMZRPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-10-5-2-3-7-13(10)16-9-11(14)12-6-4-8-15-12/h2-8H,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone?
1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone has a molecular weight of 232.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone is sourced from PubChem (CID 60892791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).