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

C14H8S2 — CID 13164288

IUPAC[1]benzothiolo[7,6-b][1]benzothiole
SMILESc1ccc2c(c1)sc1c2ccc2ccsc21
InChIInChI=1S/C14H8S2/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-8H
InChIKeyGHBPPUPSUFNMPC-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.27
Rot. Bonds

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

[1]benzothiolo[7,6-b][1]benzothiole (PubChem CID 13164288) has the molecular formula C14H8S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1]benzothiolo[7,6-b][1]benzothiole.

Molecular Properties

Compound Name[1]benzothiolo[7,6-b][1]benzothiole
PubChem CID13164288
Molecular FormulaC14H8S2
Molecular Weight240.35 g/mol
Exact Mass240.01
IUPAC Name[1]benzothiolo[7,6-b][1]benzothiole
SMILESc1ccc2c(c1)sc1c2ccc2ccsc21
InChIInChI=1S/C14H8S2/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-8H
InChIKeyGHBPPUPSUFNMPC-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-b][1]benzothiole?
The IUPAC name of [1]benzothiolo[7,6-b][1]benzothiole (CID 13164288) is [1]benzothiolo[7,6-b][1]benzothiole.
What is the SMILES notation for [1]benzothiolo[7,6-b][1]benzothiole?
The canonical SMILES for [1]benzothiolo[7,6-b][1]benzothiole is c1ccc2c(c1)sc1c2ccc2ccsc21.
What is the InChIKey of [1]benzothiolo[7,6-b][1]benzothiole?
The InChIKey is GHBPPUPSUFNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8S2/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-8H.
What are the key properties of [1]benzothiolo[7,6-b][1]benzothiole?
[1]benzothiolo[7,6-b][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-b][1]benzothiole is sourced from PubChem (CID 13164288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).