5-prop-1-enyl-2,3-dithiophen-2-ylthiophene

C15H12S3 — CID 54514965

IUPAC5-prop-1-enyl-2,3-dithiophen-2-ylthiophene
SMILESCC=Cc1cc(-c2cccs2)c(-c2cccs2)s1
InChIInChI=1S/C15H12S3/c1-2-5-11-10-12(13-6-3-8-16-13)15(18-11)14-7-4-9-17-14/h2-10H,1H3
InChIKeyYLUBWGFDPZZLNE-UHFFFAOYSA-N
MW288.46 g/mol
LogP6.24
Rot. Bonds3

About 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene

5-prop-1-enyl-2,3-dithiophen-2-ylthiophene (PubChem CID 54514965) has the molecular formula C15H12S3 and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene.

Molecular Properties

Compound Name5-prop-1-enyl-2,3-dithiophen-2-ylthiophene
PubChem CID54514965
Molecular FormulaC15H12S3
Molecular Weight288.46 g/mol
Exact Mass288.01
IUPAC Name5-prop-1-enyl-2,3-dithiophen-2-ylthiophene
SMILESCC=Cc1cc(-c2cccs2)c(-c2cccs2)s1
InChIInChI=1S/C15H12S3/c1-2-5-11-10-12(13-6-3-8-16-13)15(18-11)14-7-4-9-17-14/h2-10H,1H3
InChIKeyYLUBWGFDPZZLNE-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2-(5-prop-1-enylthiophen-2-yl)-7-thiophen-2-yl-[1]benzothiolo[3,2-b][1]benzothiole
CID 121420301
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
CID 126765639
5-methyl-4-thiophen-2-ylthiophen-2-amine
CID 82399962
2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene
CID 139049402
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
3-methylsulfanyl-2,5-dithiophen-2-ylthiophene
CID 15273180

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene?
The IUPAC name of 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene (CID 54514965) is 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene.
What is the SMILES notation for 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene?
The canonical SMILES for 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene is CC=Cc1cc(-c2cccs2)c(-c2cccs2)s1.
What is the InChIKey of 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene?
The InChIKey is YLUBWGFDPZZLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S3/c1-2-5-11-10-12(13-6-3-8-16-13)15(18-11)14-7-4-9-17-14/h2-10H,1H3.
What are the key properties of 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene?
5-prop-1-enyl-2,3-dithiophen-2-ylthiophene has a molecular weight of 288.46 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyl-2,3-dithiophen-2-ylthiophene is sourced from PubChem (CID 54514965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).