6,6-dimethoxybenzo[g][1]benzothiol-7-one

C14H12O3S — CID 10635082

IUPAC6,6-dimethoxybenzo[g][1]benzothiol-7-one
SMILESCOC1(OC)C(=O)C=Cc2c1ccc1ccsc21
InChIInChI=1S/C14H12O3S/c1-16-14(17-2)11-5-3-9-7-8-18-13(9)10(11)4-6-12(14)15/h3-8H,1-2H3
InChIKeyZGNZJSHIAZNLJJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.94
Rot. Bonds2

About 6,6-dimethoxybenzo[g][1]benzothiol-7-one

6,6-dimethoxybenzo[g][1]benzothiol-7-one (PubChem CID 10635082) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 6,6-dimethoxybenzo[g][1]benzothiol-7-one.

Molecular Properties

Compound Name6,6-dimethoxybenzo[g][1]benzothiol-7-one
PubChem CID10635082
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name6,6-dimethoxybenzo[g][1]benzothiol-7-one
SMILESCOC1(OC)C(=O)C=Cc2c1ccc1ccsc21
InChIInChI=1S/C14H12O3S/c1-16-14(17-2)11-5-3-9-7-8-18-13(9)10(11)4-6-12(14)15/h3-8H,1-2H3
InChIKeyZGNZJSHIAZNLJJ-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-1-benzothiophene
CID 23321121
(7-methoxy-1-benzothiophen-6-yl)methanamine
CID 82605317
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
9-bromo-7-methoxybenzo[g][1]benzothiole
CID 171477320
(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
CID 102015309
5,5,6-trimethoxy-1-benzothiophen-4-one
CID 135030936
8-methyl-6H-thieno[2,3-f]quinolin-9-one
CID 69369663
6-methoxy-7-methyl-1-benzothiophene-5-thiol
CID 130944023
5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
CID 130941216
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
7-bromo-6-fluoro-1-benzothiophene
CID 22171232
methyl 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-1-benzothiophene-6-carboxylate
CID 54545159

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxybenzo[g][1]benzothiol-7-one?
The IUPAC name of 6,6-dimethoxybenzo[g][1]benzothiol-7-one (CID 10635082) is 6,6-dimethoxybenzo[g][1]benzothiol-7-one.
What is the SMILES notation for 6,6-dimethoxybenzo[g][1]benzothiol-7-one?
The canonical SMILES for 6,6-dimethoxybenzo[g][1]benzothiol-7-one is COC1(OC)C(=O)C=Cc2c1ccc1ccsc21.
What is the InChIKey of 6,6-dimethoxybenzo[g][1]benzothiol-7-one?
The InChIKey is ZGNZJSHIAZNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-16-14(17-2)11-5-3-9-7-8-18-13(9)10(11)4-6-12(14)15/h3-8H,1-2H3.
What are the key properties of 6,6-dimethoxybenzo[g][1]benzothiol-7-one?
6,6-dimethoxybenzo[g][1]benzothiol-7-one has a molecular weight of 260.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxybenzo[g][1]benzothiol-7-one is sourced from PubChem (CID 10635082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).