2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione

C17H12O2S — CID 10802708

IUPAC2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione
SMILESCc1cc2ccc3c(ccc4c(C)cc(=S)oc43)c2o1
InChIInChI=1S/C17H12O2S/c1-9-7-15(20)19-17-12(9)5-6-13-14(17)4-3-11-8-10(2)18-16(11)13/h3-8H,1-2H3
InChIKeySDWXGVPVMZODQP-UHFFFAOYSA-N
MW280.35 g/mol
LogP5.68
Rot. Bonds

About 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione

2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione (PubChem CID 10802708) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione.

Molecular Properties

Compound Name2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione
PubChem CID10802708
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione
SMILESCc1cc2ccc3c(ccc4c(C)cc(=S)oc43)c2o1
InChIInChI=1S/C17H12O2S/c1-9-7-15(20)19-17-12(9)5-6-13-14(17)4-3-11-8-10(2)18-16(11)13/h3-8H,1-2H3
InChIKeySDWXGVPVMZODQP-UHFFFAOYSA-N
XLogP5.68
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.35
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione?
The IUPAC name of 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione (CID 10802708) is 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione.
What is the SMILES notation for 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione?
The canonical SMILES for 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione is Cc1cc2ccc3c(ccc4c(C)cc(=S)oc43)c2o1.
What is the InChIKey of 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione?
The InChIKey is SDWXGVPVMZODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2S/c1-9-7-15(20)19-17-12(9)5-6-13-14(17)4-3-11-8-10(2)18-16(11)13/h3-8H,1-2H3.
What are the key properties of 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione?
2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione has a molecular weight of 280.35 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-[1]benzofuro[7,6-h]chromene-8-thione is sourced from PubChem (CID 10802708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).