3-methylsulfanyl-2,5-dithiophen-2-ylthiophene

C13H10S4 — CID 15273180

IUPAC3-methylsulfanyl-2,5-dithiophen-2-ylthiophene
SMILESCSc1cc(-c2cccs2)sc1-c1cccs1
InChIInChI=1S/C13H10S4/c1-14-12-8-11(9-4-2-6-15-9)17-13(12)10-5-3-7-16-10/h2-8H,1H3
InChIKeyKTPBFSXTCTVACE-UHFFFAOYSA-N
MW294.49 g/mol
LogP5.93
Rot. Bonds3

About 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene

3-methylsulfanyl-2,5-dithiophen-2-ylthiophene (PubChem CID 15273180) has the molecular formula C13H10S4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene.

Molecular Properties

Compound Name3-methylsulfanyl-2,5-dithiophen-2-ylthiophene
PubChem CID15273180
Molecular FormulaC13H10S4
Molecular Weight294.49 g/mol
Exact Mass293.97
IUPAC Name3-methylsulfanyl-2,5-dithiophen-2-ylthiophene
SMILESCSc1cc(-c2cccs2)sc1-c1cccs1
InChIInChI=1S/C13H10S4/c1-14-12-8-11(9-4-2-6-15-9)17-13(12)10-5-3-7-16-10/h2-8H,1H3
InChIKeyKTPBFSXTCTVACE-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene
CID 89484063
3-(2,2,3,3,4,4-hexafluoro-5-methylcyclopentyl)-2,5-dithiophen-2-ylthiophene
CID 134505102
4,9-dithiophen-2-yl-13,16,17,20-tetraoxa-5,8-dithiapentacyclo[10.4.4.01,12.02,6.07,11]icosa-2(6),3,7(11),9-tetraene
CID 90324246

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene?
The IUPAC name of 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene (CID 15273180) is 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene.
What is the SMILES notation for 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene?
The canonical SMILES for 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene is CSc1cc(-c2cccs2)sc1-c1cccs1.
What is the InChIKey of 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene?
The InChIKey is KTPBFSXTCTVACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S4/c1-14-12-8-11(9-4-2-6-15-9)17-13(12)10-5-3-7-16-10/h2-8H,1H3.
What are the key properties of 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene?
3-methylsulfanyl-2,5-dithiophen-2-ylthiophene has a molecular weight of 294.49 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2,5-dithiophen-2-ylthiophene is sourced from PubChem (CID 15273180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).