4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole

C18H10S4 — CID 102164796

IUPAC4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
SMILESc1cc(-c2c(-c3ccsc3)c3ccsc3c3sccc23)cs1
InChIInChI=1S/C18H10S4/c1-5-19-9-11(1)15-13-3-7-21-17(13)18-14(4-8-22-18)16(15)12-2-6-20-10-12/h1-10H
InChIKeyPAOUGEIQUJUYDL-UHFFFAOYSA-N
MW354.55 g/mol
LogP7.57
Rot. Bonds2

About 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole

4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole (PubChem CID 102164796) has the molecular formula C18H10S4 and a molecular weight of 354.55 g/mol. Its IUPAC name is 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole.

Molecular Properties

Compound Name4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
PubChem CID102164796
Molecular FormulaC18H10S4
Molecular Weight354.55 g/mol
Exact Mass353.97
IUPAC Name4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
SMILESc1cc(-c2c(-c3ccsc3)c3ccsc3c3sccc23)cs1
InChIInChI=1S/C18H10S4/c1-5-19-9-11(1)15-13-3-7-21-17(13)18-14(4-8-22-18)16(15)12-2-6-20-10-12/h1-10H
InChIKeyPAOUGEIQUJUYDL-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.55
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenylthieno[3,2-g][1]benzothiole
CID 68617982
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
4-thiophen-3-yl-1-benzothiophene
CID 54496149
4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
CID 130535740
2-iodo-3-thiophen-3-ylthiophene
CID 90185098
cyclopenta[c]thiopyran
CID 584139
2,5-dibromo-3,4-di(thiophen-3-yl)thiophene
CID 141088611
3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene
CID 58130596
7,10,20,23-tetrathia-2,15-diazaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1,3,5,8,11,13,15,17(21),18,22(26),24-undecaene
CID 102314304
3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene
CID 102231127
3-(2,6-ditert-butyl-5-thiophen-3-ylnaphthalen-1-yl)thiophene
CID 169050308
8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene
CID 101086498

Frequently Asked Questions

What is the IUPAC name of 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole?
The IUPAC name of 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole (CID 102164796) is 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole.
What is the SMILES notation for 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole?
The canonical SMILES for 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole is c1cc(-c2c(-c3ccsc3)c3ccsc3c3sccc23)cs1.
What is the InChIKey of 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole?
The InChIKey is PAOUGEIQUJUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10S4/c1-5-19-9-11(1)15-13-3-7-21-17(13)18-14(4-8-22-18)16(15)12-2-6-20-10-12/h1-10H.
What are the key properties of 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole?
4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole has a molecular weight of 354.55 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole is sourced from PubChem (CID 102164796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).