2,5-dithiophen-2-ylthiophene-3,4-dithiol

C12H8S5 — CID 101208801

IUPAC2,5-dithiophen-2-ylthiophene-3,4-dithiol
SMILESSc1c(-c2cccs2)sc(-c2cccs2)c1S
InChIInChI=1S/C12H8S5/c13-9-10(14)12(8-4-2-6-16-8)17-11(9)7-3-1-5-15-7/h1-6,13-14H
InChIKeyYIRSVCQEGGCDGY-UHFFFAOYSA-N
MW312.53 g/mol
LogP5.78
Rot. Bonds2

About 2,5-dithiophen-2-ylthiophene-3,4-dithiol

2,5-dithiophen-2-ylthiophene-3,4-dithiol (PubChem CID 101208801) has the molecular formula C12H8S5 and a molecular weight of 312.53 g/mol. Its IUPAC name is 2,5-dithiophen-2-ylthiophene-3,4-dithiol.

Molecular Properties

Compound Name2,5-dithiophen-2-ylthiophene-3,4-dithiol
PubChem CID101208801
Molecular FormulaC12H8S5
Molecular Weight312.53 g/mol
Exact Mass311.92
IUPAC Name2,5-dithiophen-2-ylthiophene-3,4-dithiol
SMILESSc1c(-c2cccs2)sc(-c2cccs2)c1S
InChIInChI=1S/C12H8S5/c13-9-10(14)12(8-4-2-6-16-8)17-11(9)7-3-1-5-15-7/h1-6,13-14H
InChIKeyYIRSVCQEGGCDGY-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 69411648
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2,3-diphenyl-4,5-dithiophen-2-ylthiophene
CID 67533683
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
CID 130318353
4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine
CID 145426401
4,6-dithiophen-2-yl-1H-thieno[3,4-d]triazole
CID 100936204
thiophene;2-thiophen-2-ylthiophene
CID 158809122

Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-ylthiophene-3,4-dithiol?
The IUPAC name of 2,5-dithiophen-2-ylthiophene-3,4-dithiol (CID 101208801) is 2,5-dithiophen-2-ylthiophene-3,4-dithiol.
What is the SMILES notation for 2,5-dithiophen-2-ylthiophene-3,4-dithiol?
The canonical SMILES for 2,5-dithiophen-2-ylthiophene-3,4-dithiol is Sc1c(-c2cccs2)sc(-c2cccs2)c1S.
What is the InChIKey of 2,5-dithiophen-2-ylthiophene-3,4-dithiol?
The InChIKey is YIRSVCQEGGCDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S5/c13-9-10(14)12(8-4-2-6-16-8)17-11(9)7-3-1-5-15-7/h1-6,13-14H.
What are the key properties of 2,5-dithiophen-2-ylthiophene-3,4-dithiol?
2,5-dithiophen-2-ylthiophene-3,4-dithiol has a molecular weight of 312.53 g/mol, XLogP of 5.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-ylthiophene-3,4-dithiol is sourced from PubChem (CID 101208801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).