7-propyl-3-sulfanylidene-2-benzofuran-1-one

C11H10O2S — CID 139672288

IUPAC7-propyl-3-sulfanylidene-2-benzofuran-1-one
SMILESCCCc1cccc2c1C(=O)OC2=S
InChIInChI=1S/C11H10O2S/c1-2-4-7-5-3-6-8-9(7)10(12)13-11(8)14/h3,5-6H,2,4H2,1H3
InChIKeyKRFUPKOSHRHXOX-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.48
Rot. Bonds2

About 7-propyl-3-sulfanylidene-2-benzofuran-1-one

7-propyl-3-sulfanylidene-2-benzofuran-1-one (PubChem CID 139672288) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 7-propyl-3-sulfanylidene-2-benzofuran-1-one.

Molecular Properties

Compound Name7-propyl-3-sulfanylidene-2-benzofuran-1-one
PubChem CID139672288
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name7-propyl-3-sulfanylidene-2-benzofuran-1-one
SMILESCCCc1cccc2c1C(=O)OC2=S
InChIInChI=1S/C11H10O2S/c1-2-4-7-5-3-6-8-9(7)10(12)13-11(8)14/h3,5-6H,2,4H2,1H3
InChIKeyKRFUPKOSHRHXOX-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-3-sulfanylidene-2-benzofuran-1-one
CID 87298563
7-propan-2-yl-3-sulfanylidene-2-benzofuran-1-one
CID 139672267
4-propylisoindole-1,3-dithione
CID 163666997
1,2-bis(4-methylphenyl)-3-propylbenzene
CID 173306063
4-(10-methylundecyl)-2-benzofuran-1,3-dione
CID 87987422
4-propyl-6H-benzo[c][1]benzoxepin-11-one
CID 139748970
1-butylfluoren-9-one
CID 14598470
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
2-methyl-8-propyl-2,3-dihydrochromen-4-one
CID 56613123
(4E)-2-methyl-4-prop-2-enylidene-5-propylisoquinoline-1,3-dione
CID 176954774
1-decylanthracene-9,10-dione
CID 139845419
1-dodecylanthracene-9,10-dione
CID 67664417

Frequently Asked Questions

What is the IUPAC name of 7-propyl-3-sulfanylidene-2-benzofuran-1-one?
The IUPAC name of 7-propyl-3-sulfanylidene-2-benzofuran-1-one (CID 139672288) is 7-propyl-3-sulfanylidene-2-benzofuran-1-one.
What is the SMILES notation for 7-propyl-3-sulfanylidene-2-benzofuran-1-one?
The canonical SMILES for 7-propyl-3-sulfanylidene-2-benzofuran-1-one is CCCc1cccc2c1C(=O)OC2=S.
What is the InChIKey of 7-propyl-3-sulfanylidene-2-benzofuran-1-one?
The InChIKey is KRFUPKOSHRHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-2-4-7-5-3-6-8-9(7)10(12)13-11(8)14/h3,5-6H,2,4H2,1H3.
What are the key properties of 7-propyl-3-sulfanylidene-2-benzofuran-1-one?
7-propyl-3-sulfanylidene-2-benzofuran-1-one has a molecular weight of 206.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3-sulfanylidene-2-benzofuran-1-one is sourced from PubChem (CID 139672288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).