[1]benzothiolo[7,6-g][1]benzothiole

C14H8S2 — CID 58434773

IUPAC[1]benzothiolo[7,6-g][1]benzothiole
SMILESc1cc2ccc3c(ccc4ccsc43)c2s1
InChIInChI=1S/C14H8S2/c1-3-11-12(13-9(1)5-7-15-13)4-2-10-6-8-16-14(10)11/h1-8H
InChIKeyMOZTVOICZIVCFC-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.27
Rot. Bonds

About [1]benzothiolo[7,6-g][1]benzothiole

[1]benzothiolo[7,6-g][1]benzothiole (PubChem CID 58434773) has the molecular formula C14H8S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1]benzothiolo[7,6-g][1]benzothiole.

Molecular Properties

Compound Name[1]benzothiolo[7,6-g][1]benzothiole
PubChem CID58434773
Molecular FormulaC14H8S2
Molecular Weight240.35 g/mol
Exact Mass240.01
IUPAC Name[1]benzothiolo[7,6-g][1]benzothiole
SMILESc1cc2ccc3c(ccc4ccsc43)c2s1
InChIInChI=1S/C14H8S2/c1-3-11-12(13-9(1)5-7-15-13)4-2-10-6-8-16-14(10)11/h1-8H
InChIKeyMOZTVOICZIVCFC-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[7,6-g][1]benzothiole?
The IUPAC name of [1]benzothiolo[7,6-g][1]benzothiole (CID 58434773) is [1]benzothiolo[7,6-g][1]benzothiole.
What is the SMILES notation for [1]benzothiolo[7,6-g][1]benzothiole?
The canonical SMILES for [1]benzothiolo[7,6-g][1]benzothiole is c1cc2ccc3c(ccc4ccsc43)c2s1.
What is the InChIKey of [1]benzothiolo[7,6-g][1]benzothiole?
The InChIKey is MOZTVOICZIVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8S2/c1-3-11-12(13-9(1)5-7-15-13)4-2-10-6-8-16-14(10)11/h1-8H.
What are the key properties of [1]benzothiolo[7,6-g][1]benzothiole?
[1]benzothiolo[7,6-g][1]benzothiole has a molecular weight of 240.35 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[7,6-g][1]benzothiole is sourced from PubChem (CID 58434773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).