2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole

C24H18S2 — CID 59356821

IUPAC2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole
SMILESCc1ccc(-c2cc3cc4sc(-c5ccc(C)cc5)cc4cc3s2)cc1
InChIInChI=1S/C24H18S2/c1-15-3-7-17(8-4-15)21-11-19-13-24-20(14-23(19)25-21)12-22(26-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyDWVXIELPJDWPNY-UHFFFAOYSA-N
MW370.54 g/mol
LogP8.07
Rot. Bonds2

About 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole

2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole (PubChem CID 59356821) has the molecular formula C24H18S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole
PubChem CID59356821
Molecular FormulaC24H18S2
Molecular Weight370.54 g/mol
Exact Mass370.08
IUPAC Name2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole
SMILESCc1ccc(-c2cc3cc4sc(-c5ccc(C)cc5)cc4cc3s2)cc1
InChIInChI=1S/C24H18S2/c1-15-3-7-17(8-4-15)21-11-19-13-24-20(14-23(19)25-21)12-22(26-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyDWVXIELPJDWPNY-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole?
The IUPAC name of 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole (CID 59356821) is 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole.
What is the SMILES notation for 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole?
The canonical SMILES for 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole is Cc1ccc(-c2cc3cc4sc(-c5ccc(C)cc5)cc4cc3s2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole?
The InChIKey is DWVXIELPJDWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18S2/c1-15-3-7-17(8-4-15)21-11-19-13-24-20(14-23(19)25-21)12-22(26-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole?
2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole has a molecular weight of 370.54 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole is sourced from PubChem (CID 59356821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).