5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole

C16H14S — CID 10847548

IUPAC5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole
SMILESc1ccc2c(c1)CCC1c3ccccc3SC21
InChIInChI=1S/C16H14S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,14,16H,9-10H2
InChIKeySUHPFRHKONGTSX-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.56
Rot. Bonds

About 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole

5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole (PubChem CID 10847548) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole
PubChem CID10847548
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole
SMILESc1ccc2c(c1)CCC1c3ccccc3SC21
InChIInChI=1S/C16H14S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,14,16H,9-10H2
InChIKeySUHPFRHKONGTSX-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole?
The IUPAC name of 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole (CID 10847548) is 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole?
The canonical SMILES for 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole is c1ccc2c(c1)CCC1c3ccccc3SC21.
What is the InChIKey of 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole?
The InChIKey is SUHPFRHKONGTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,14,16H,9-10H2.
What are the key properties of 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole?
5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole has a molecular weight of 238.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 10847548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).