5aH-indeno[1,2-b][1]benzothiole

C15H10S — CID 54058656

IUPAC5aH-indeno[1,2-b][1]benzothiole
SMILESC1=CC2=C3C=c4ccccc4=C3SC2C=C1
InChIInChI=1S/C15H10S/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13/h1-9,14H
InChIKeyLYBOJWCYGGLEAL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.13
Rot. Bonds

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

5aH-indeno[1,2-b][1]benzothiole (PubChem CID 54058656) has the molecular formula C15H10S and a molecular weight of 222.31 g/mol. Its IUPAC name is 5aH-indeno[1,2-b][1]benzothiole.

Molecular Properties

Compound Name5aH-indeno[1,2-b][1]benzothiole
PubChem CID54058656
Molecular FormulaC15H10S
Molecular Weight222.31 g/mol
Exact Mass222.05
IUPAC Name5aH-indeno[1,2-b][1]benzothiole
SMILESC1=CC2=C3C=c4ccccc4=C3SC2C=C1
InChIInChI=1S/C15H10S/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13/h1-9,14H
InChIKeyLYBOJWCYGGLEAL-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5aH-indeno[1,2-b][1]benzothiole?
The IUPAC name of 5aH-indeno[1,2-b][1]benzothiole (CID 54058656) is 5aH-indeno[1,2-b][1]benzothiole.
What is the SMILES notation for 5aH-indeno[1,2-b][1]benzothiole?
The canonical SMILES for 5aH-indeno[1,2-b][1]benzothiole is C1=CC2=C3C=c4ccccc4=C3SC2C=C1.
What is the InChIKey of 5aH-indeno[1,2-b][1]benzothiole?
The InChIKey is LYBOJWCYGGLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10S/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13/h1-9,14H.
What are the key properties of 5aH-indeno[1,2-b][1]benzothiole?
5aH-indeno[1,2-b][1]benzothiole has a molecular weight of 222.31 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5aH-indeno[1,2-b][1]benzothiole is sourced from PubChem (CID 54058656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).