9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole

C15H12S — CID 18940758

IUPAC9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole
SMILESC1=CC2SC3=c4ccccc4=CC3C2C=C1
InChIInChI=1S/C15H12S/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13/h1-9,12-14H
InChIKeyODWBFZISWHBTBT-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.06
Rot. Bonds

About 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole

9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole (PubChem CID 18940758) has the molecular formula C15H12S and a molecular weight of 224.33 g/mol. Its IUPAC name is 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole.

Molecular Properties

Compound Name9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole
PubChem CID18940758
Molecular FormulaC15H12S
Molecular Weight224.33 g/mol
Exact Mass224.07
IUPAC Name9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole
SMILESC1=CC2SC3=c4ccccc4=CC3C2C=C1
InChIInChI=1S/C15H12S/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13/h1-9,12-14H
InChIKeyODWBFZISWHBTBT-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole?
The IUPAC name of 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole (CID 18940758) is 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole.
What is the SMILES notation for 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole?
The canonical SMILES for 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole is C1=CC2SC3=c4ccccc4=CC3C2C=C1.
What is the InChIKey of 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole?
The InChIKey is ODWBFZISWHBTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13/h1-9,12-14H.
What are the key properties of 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole?
9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole has a molecular weight of 224.33 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9a,9b-dihydro-5aH-indeno[1,2-b][1]benzothiole is sourced from PubChem (CID 18940758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).