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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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).