8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one

C17H14O2S — CID 22004765

IUPAC8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one
SMILESCOc1ccc2c(c1)sc1c3c(ccc12)C(=O)CC3C
InChIInChI=1S/C17H14O2S/c1-9-7-14(18)13-6-5-12-11-4-3-10(19-2)8-15(11)20-17(12)16(9)13/h3-6,8-9H,7H2,1-2H3
InChIKeyDMOXJMJQWDUQSQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.75
Rot. Bonds1

About 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one

8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one (PubChem CID 22004765) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one.

Molecular Properties

Compound Name8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one
PubChem CID22004765
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one
SMILESCOc1ccc2c(c1)sc1c3c(ccc12)C(=O)CC3C
InChIInChI=1S/C17H14O2S/c1-9-7-14(18)13-6-5-12-11-4-3-10(19-2)8-15(11)20-17(12)16(9)13/h3-6,8-9H,7H2,1-2H3
InChIKeyDMOXJMJQWDUQSQ-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one?
The IUPAC name of 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one (CID 22004765) is 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one.
What is the SMILES notation for 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one?
The canonical SMILES for 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one is COc1ccc2c(c1)sc1c3c(ccc12)C(=O)CC3C.
What is the InChIKey of 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one?
The InChIKey is DMOXJMJQWDUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-9-7-14(18)13-6-5-12-11-4-3-10(19-2)8-15(11)20-17(12)16(9)13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one?
8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one has a molecular weight of 282.36 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one is sourced from PubChem (CID 22004765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).