6,7-dimethoxy-1-benzothiophene

C10H10O2S — CID 23321121

IUPAC6,7-dimethoxy-1-benzothiophene
SMILESCOc1ccc2ccsc2c1OC
InChIInChI=1S/C10H10O2S/c1-11-8-4-3-7-5-6-13-10(7)9(8)12-2/h3-6H,1-2H3
InChIKeyAACNBVDIZNQAQL-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.92
Rot. Bonds2

About 6,7-dimethoxy-1-benzothiophene

6,7-dimethoxy-1-benzothiophene (PubChem CID 23321121) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 6,7-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name6,7-dimethoxy-1-benzothiophene
PubChem CID23321121
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name6,7-dimethoxy-1-benzothiophene
SMILESCOc1ccc2ccsc2c1OC
InChIInChI=1S/C10H10O2S/c1-11-8-4-3-7-5-6-13-10(7)9(8)12-2/h3-6H,1-2H3
InChIKeyAACNBVDIZNQAQL-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-benzothiophene?
The IUPAC name of 6,7-dimethoxy-1-benzothiophene (CID 23321121) is 6,7-dimethoxy-1-benzothiophene.
What is the SMILES notation for 6,7-dimethoxy-1-benzothiophene?
The canonical SMILES for 6,7-dimethoxy-1-benzothiophene is COc1ccc2ccsc2c1OC.
What is the InChIKey of 6,7-dimethoxy-1-benzothiophene?
The InChIKey is AACNBVDIZNQAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-11-8-4-3-7-5-6-13-10(7)9(8)12-2/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxy-1-benzothiophene?
6,7-dimethoxy-1-benzothiophene has a molecular weight of 194.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-benzothiophene is sourced from PubChem (CID 23321121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).