1,2-dimethylindeno[1,2-b][1]benzothiol-10-one

C17H12OS — CID 168866784

IUPAC1,2-dimethylindeno[1,2-b][1]benzothiol-10-one
SMILESCc1ccc2c(c1C)C(=O)c1c-2sc2ccccc12
InChIInChI=1S/C17H12OS/c1-9-7-8-12-14(10(9)2)16(18)15-11-5-3-4-6-13(11)19-17(12)15/h3-8H,1-2H3
InChIKeyPUBLHYUCZKJZFK-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.73
Rot. Bonds

About 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one

1,2-dimethylindeno[1,2-b][1]benzothiol-10-one (PubChem CID 168866784) has the molecular formula C17H12OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one.

Molecular Properties

Compound Name1,2-dimethylindeno[1,2-b][1]benzothiol-10-one
PubChem CID168866784
Molecular FormulaC17H12OS
Molecular Weight264.35 g/mol
Exact Mass264.06
IUPAC Name1,2-dimethylindeno[1,2-b][1]benzothiol-10-one
SMILESCc1ccc2c(c1C)C(=O)c1c-2sc2ccccc12
InChIInChI=1S/C17H12OS/c1-9-7-8-12-14(10(9)2)16(18)15-11-5-3-4-6-13(11)19-17(12)15/h3-8H,1-2H3
InChIKeyPUBLHYUCZKJZFK-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one?
The IUPAC name of 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one (CID 168866784) is 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one.
What is the SMILES notation for 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one?
The canonical SMILES for 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one is Cc1ccc2c(c1C)C(=O)c1c-2sc2ccccc12.
What is the InChIKey of 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one?
The InChIKey is PUBLHYUCZKJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12OS/c1-9-7-8-12-14(10(9)2)16(18)15-11-5-3-4-6-13(11)19-17(12)15/h3-8H,1-2H3.
What are the key properties of 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one?
1,2-dimethylindeno[1,2-b][1]benzothiol-10-one has a molecular weight of 264.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindeno[1,2-b][1]benzothiol-10-one is sourced from PubChem (CID 168866784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).