2-thiophen-2-ylthieno[2,3-f][1]benzothiole

C14H8S3 — CID 25213369

IUPAC2-thiophen-2-ylthieno[2,3-f][1]benzothiole
SMILESc1csc(-c2cc3cc4sccc4cc3s2)c1
InChIInChI=1S/C14H8S3/c1-2-11(15-4-1)14-8-10-7-12-9(3-5-16-12)6-13(10)17-14/h1-8H
InChIKeyCRNSYJHQQDLZNT-UHFFFAOYSA-N
MW272.42 g/mol
LogP5.84
Rot. Bonds1

About 2-thiophen-2-ylthieno[2,3-f][1]benzothiole

2-thiophen-2-ylthieno[2,3-f][1]benzothiole (PubChem CID 25213369) has the molecular formula C14H8S3 and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-thiophen-2-ylthieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name2-thiophen-2-ylthieno[2,3-f][1]benzothiole
PubChem CID25213369
Molecular FormulaC14H8S3
Molecular Weight272.42 g/mol
Exact Mass271.98
IUPAC Name2-thiophen-2-ylthieno[2,3-f][1]benzothiole
SMILESc1csc(-c2cc3cc4sccc4cc3s2)c1
InChIInChI=1S/C14H8S3/c1-2-11(15-4-1)14-8-10-7-12-9(3-5-16-12)6-13(10)17-14/h1-8H
InChIKeyCRNSYJHQQDLZNT-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[6-([1]benzothiolo[6,5-f][1]benzothiol-7-yl)-1,5-difluoronaphthalen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 170275144
2,7-bis[4-(1-benzothiophen-5-yl)phenyl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 167099920
[1]benzothiolo[6,5-f][1]benzothiol-7-amine
CID 129178000
6-(4-methylphenyl)-5,11,16,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,6,8,13(21),14,17,19-nonaene
CID 146620994
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
CID 122373287
5-thieno[2,3-b]thiophen-5-ylthieno[3,2-b]thiophene
CID 123978480
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
7-(4-decylphenyl)-[1]benzothiolo[5,6-f][1]benzothiole
CID 153456412
9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole
CID 102475949
6,12,21,27-tetrathiaoctacyclo[14.14.0.02,13.03,11.05,9.017,28.018,26.020,24]triaconta-1(16),2(13),3(11),4,7,9,14,17(28),18(26),19,22,24,29-tridecaene
CID 123469850
2-propan-2-ylthieno[3,2-f][1]benzothiole
CID 138612702

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylthieno[2,3-f][1]benzothiole?
The IUPAC name of 2-thiophen-2-ylthieno[2,3-f][1]benzothiole (CID 25213369) is 2-thiophen-2-ylthieno[2,3-f][1]benzothiole.
What is the SMILES notation for 2-thiophen-2-ylthieno[2,3-f][1]benzothiole?
The canonical SMILES for 2-thiophen-2-ylthieno[2,3-f][1]benzothiole is c1csc(-c2cc3cc4sccc4cc3s2)c1.
What is the InChIKey of 2-thiophen-2-ylthieno[2,3-f][1]benzothiole?
The InChIKey is CRNSYJHQQDLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8S3/c1-2-11(15-4-1)14-8-10-7-12-9(3-5-16-12)6-13(10)17-14/h1-8H.
What are the key properties of 2-thiophen-2-ylthieno[2,3-f][1]benzothiole?
2-thiophen-2-ylthieno[2,3-f][1]benzothiole has a molecular weight of 272.42 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylthieno[2,3-f][1]benzothiole is sourced from PubChem (CID 25213369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).