4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C14H6S5 — CID 126710615

IUPAC4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1cc2sc(-c3cc4sc5ccsc5c4s3)cc2s1
InChIInChI=1S/C14H6S5/c1-3-15-9-5-10(17-7(1)9)11-6-12-14(19-11)13-8(18-12)2-4-16-13/h1-6H
InChIKeyIOKLRKYBBGAYKO-UHFFFAOYSA-N
MW334.54 g/mol
LogP7.12
Rot. Bonds1

About 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 126710615) has the molecular formula C14H6S5 and a molecular weight of 334.54 g/mol. Its IUPAC name is 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID126710615
Molecular FormulaC14H6S5
Molecular Weight334.54 g/mol
Exact Mass333.91
IUPAC Name4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1cc2sc(-c3cc4sc5ccsc5c4s3)cc2s1
InChIInChI=1S/C14H6S5/c1-3-15-9-5-10(17-7(1)9)11-6-12-14(19-11)13-8(18-12)2-4-16-13/h1-6H
InChIKeyIOKLRKYBBGAYKO-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-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 170275089
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-thiol
CID 175953151
2-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyridin-4-amine
CID 132552646
5-thieno[2,3-b]thiophen-5-ylthieno[3,2-b]thiophene
CID 123978480
2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 170275150
dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane
CID 157062836
4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 131860132
CID 58455822
CID 58455822
thieno[3,2-b]thiophen-5-ylstannane
CID 149433263
4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 122208058
1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80745878
5-naphthalen-2-ylthieno[3,2-b]thiophene
CID 134966612

Frequently Asked Questions

What is the IUPAC name of 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 126710615) is 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is c1cc2sc(-c3cc4sc5ccsc5c4s3)cc2s1.
What is the InChIKey of 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is IOKLRKYBBGAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6S5/c1-3-15-9-5-10(17-7(1)9)11-6-12-14(19-11)13-8(18-12)2-4-16-13/h1-6H.
What are the key properties of 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-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 4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 126710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).