7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide

C16H14O2S — CID 22294614

IUPAC7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide
SMILESO=S1(=O)C2=CC=C3C=CC=CC3C2C2=CC=CCC21
InChIInChI=1S/C16H14O2S/c17-19(18)14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)19/h1-7,9-10,12,14,16H,8H2
InChIKeyPNEFTQFWPAXPBX-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.85
Rot. Bonds

About 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide

7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide (PubChem CID 22294614) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide.

Molecular Properties

Compound Name7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide
PubChem CID22294614
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide
SMILESO=S1(=O)C2=CC=C3C=CC=CC3C2C2=CC=CCC21
InChIInChI=1S/C16H14O2S/c17-19(18)14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)19/h1-7,9-10,12,14,16H,8H2
InChIKeyPNEFTQFWPAXPBX-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide?
The IUPAC name of 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide (CID 22294614) is 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide.
What is the SMILES notation for 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide?
The canonical SMILES for 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide is O=S1(=O)C2=CC=C3C=CC=CC3C2C2=CC=CCC21.
What is the InChIKey of 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide?
The InChIKey is PNEFTQFWPAXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c17-19(18)14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)19/h1-7,9-10,12,14,16H,8H2.
What are the key properties of 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide?
7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide has a molecular weight of 270.35 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a,8,11b,11c-tetrahydronaphtho[2,1-b][1]benzothiole 7,7-dioxide is sourced from PubChem (CID 22294614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).