3,6-dithiophen-2-yldithiine

C12H8S4 — CID 86180239

IUPAC3,6-dithiophen-2-yldithiine
SMILESC1=C(c2cccs2)SSC(c2cccs2)=C1
InChIInChI=1S/C12H8S4/c1-3-9(13-7-1)11-5-6-12(16-15-11)10-4-2-8-14-10/h1-8H
InChIKeyTZOSHEUMEAPNPI-UHFFFAOYSA-N
MW280.46 g/mol
LogP5.59
Rot. Bonds2

About 3,6-dithiophen-2-yldithiine

3,6-dithiophen-2-yldithiine (PubChem CID 86180239) has the molecular formula C12H8S4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3,6-dithiophen-2-yldithiine.

Molecular Properties

Compound Name3,6-dithiophen-2-yldithiine
PubChem CID86180239
Molecular FormulaC12H8S4
Molecular Weight280.46 g/mol
Exact Mass279.95
IUPAC Name3,6-dithiophen-2-yldithiine
SMILESC1=C(c2cccs2)SSC(c2cccs2)=C1
InChIInChI=1S/C12H8S4/c1-3-9(13-7-1)11-5-6-12(16-15-11)10-4-2-8-14-10/h1-8H
InChIKeyTZOSHEUMEAPNPI-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

thiophene;2-thiophen-2-ylthiophene
CID 158809122
2-thiophen-2-yl-1,4-dithiine
CID 66995291
3-nitro-2,6-dithiophen-2-yl-2H-thiopyran
CID 15518933
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
5-thiophen-2-ylthiophen-3-one
CID 14634494
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
2-(1,3-dithiol-2-ylidene)-4-thiophen-2-yl-1,3-dithiole
CID 15150343
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222

Frequently Asked Questions

What is the IUPAC name of 3,6-dithiophen-2-yldithiine?
The IUPAC name of 3,6-dithiophen-2-yldithiine (CID 86180239) is 3,6-dithiophen-2-yldithiine.
What is the SMILES notation for 3,6-dithiophen-2-yldithiine?
The canonical SMILES for 3,6-dithiophen-2-yldithiine is C1=C(c2cccs2)SSC(c2cccs2)=C1.
What is the InChIKey of 3,6-dithiophen-2-yldithiine?
The InChIKey is TZOSHEUMEAPNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S4/c1-3-9(13-7-1)11-5-6-12(16-15-11)10-4-2-8-14-10/h1-8H.
What are the key properties of 3,6-dithiophen-2-yldithiine?
3,6-dithiophen-2-yldithiine has a molecular weight of 280.46 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dithiophen-2-yldithiine is sourced from PubChem (CID 86180239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).