3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

C14H6S5 — CID 123797462

IUPAC3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESc1cc2cc(-c3csc4sc5sccc5c34)sc2s1
InChIInChI=1S/C14H6S5/c1-3-15-12-7(1)5-10(18-12)9-6-17-14-11(9)8-2-4-16-13(8)19-14/h1-6H
InChIKeyROBLLJNICIQRSQ-UHFFFAOYSA-N
MW334.54 g/mol
LogP7.12
Rot. Bonds1

About 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (PubChem CID 123797462) has the molecular formula C14H6S5 and a molecular weight of 334.54 g/mol. Its IUPAC name is 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.

Molecular Properties

Compound Name3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
PubChem CID123797462
Molecular FormulaC14H6S5
Molecular Weight334.54 g/mol
Exact Mass333.91
IUPAC Name3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESc1cc2cc(-c3csc4sc5sccc5c34)sc2s1
InChIInChI=1S/C14H6S5/c1-3-15-12-7(1)5-10(18-12)9-6-17-14-11(9)8-2-4-16-13(8)19-14/h1-6H
InChIKeyROBLLJNICIQRSQ-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-thieno[2,3-b]thiophen-5-ylthieno[3,2-b]thiophene
CID 123978480
bis(thieno[2,3-b]thiophen-5-yl)methanone
CID 70589799
1-thieno[2,3-b]thiophen-5-ylethanone
CID 15698036
4,5-difluorothieno[2,3-b]thiophene
CID 129149157
5-(3,3-dimethylbut-1-ynyl)thieno[2,3-b]thiophene
CID 609657
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
3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
CID 67340695
12-(3,5-dimethylphenyl)-5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
CID 167260861
2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 90847279
7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58410706
4-tert-butyl-5-(5-tert-butyl-1-benzothiophen-2-yl)-1-benzothiophene
CID 166726274
ethane;2-methylthieno[3,2-g][1]benzothiole
CID 145022999

Frequently Asked Questions

What is the IUPAC name of 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The IUPAC name of 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (CID 123797462) is 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.
What is the SMILES notation for 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The canonical SMILES for 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is c1cc2cc(-c3csc4sc5sccc5c34)sc2s1.
What is the InChIKey of 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The InChIKey is ROBLLJNICIQRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6S5/c1-3-15-12-7(1)5-10(18-12)9-6-17-14-11(9)8-2-4-16-13(8)19-14/h1-6H.
What are the key properties of 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene has a molecular weight of 334.54 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[2,3-b]thiophen-5-yl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is sourced from PubChem (CID 123797462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).