2-thiophen-2-yl-1,4-dithiine

C8H6S3 — CID 66995291

IUPAC2-thiophen-2-yl-1,4-dithiine
SMILESC1=CSC(c2cccs2)=CS1
InChIInChI=1S/C8H6S3/c1-2-7(10-3-1)8-6-9-4-5-11-8/h1-6H
InChIKeyFPGRJPNETIPIFK-UHFFFAOYSA-N
MW198.34 g/mol
LogP4.00
Rot. Bonds1

About 2-thiophen-2-yl-1,4-dithiine

2-thiophen-2-yl-1,4-dithiine (PubChem CID 66995291) has the molecular formula C8H6S3 and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,4-dithiine.

Molecular Properties

Compound Name2-thiophen-2-yl-1,4-dithiine
PubChem CID66995291
Molecular FormulaC8H6S3
Molecular Weight198.34 g/mol
Exact Mass197.96
IUPAC Name2-thiophen-2-yl-1,4-dithiine
SMILESC1=CSC(c2cccs2)=CS1
InChIInChI=1S/C8H6S3/c1-2-7(10-3-1)8-6-9-4-5-11-8/h1-6H
InChIKeyFPGRJPNETIPIFK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dithiol-2-ylidene)-4-thiophen-2-yl-1,3-dithiole
CID 15150343
3,6-dithiophen-2-yldithiine
CID 86180239
5-methyl-2-thiophen-2-yl-4H-thiopyran
CID 142318678
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
5-thiophen-2-ylthiophen-3-one
CID 14634494
4-thiophen-2-yl-1,3-dithiole-2-thione
CID 12650086
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,4-dithiine?
The IUPAC name of 2-thiophen-2-yl-1,4-dithiine (CID 66995291) is 2-thiophen-2-yl-1,4-dithiine.
What is the SMILES notation for 2-thiophen-2-yl-1,4-dithiine?
The canonical SMILES for 2-thiophen-2-yl-1,4-dithiine is C1=CSC(c2cccs2)=CS1.
What is the InChIKey of 2-thiophen-2-yl-1,4-dithiine?
The InChIKey is FPGRJPNETIPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S3/c1-2-7(10-3-1)8-6-9-4-5-11-8/h1-6H.
What are the key properties of 2-thiophen-2-yl-1,4-dithiine?
2-thiophen-2-yl-1,4-dithiine has a molecular weight of 198.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,4-dithiine is sourced from PubChem (CID 66995291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).