2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene

C8H8S4 — CID 10704763

IUPAC2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
SMILESCSc1cc2sc(SC)cc2s1
InChIInChI=1S/C8H8S4/c1-9-7-3-5-6(11-7)4-8(10-2)12-5/h3-4H,1-2H3
InChIKeyUMOMCZXYEOSJBF-UHFFFAOYSA-N
MW232.42 g/mol
LogP4.41
Rot. Bonds2

About 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene

2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene (PubChem CID 10704763) has the molecular formula C8H8S4 and a molecular weight of 232.42 g/mol. Its IUPAC name is 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
PubChem CID10704763
Molecular FormulaC8H8S4
Molecular Weight232.42 g/mol
Exact Mass231.95
IUPAC Name2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
SMILESCSc1cc2sc(SC)cc2s1
InChIInChI=1S/C8H8S4/c1-9-7-3-5-6(11-7)4-8(10-2)12-5/h3-4H,1-2H3
InChIKeyUMOMCZXYEOSJBF-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene (CID 10704763) is 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene is CSc1cc2sc(SC)cc2s1.
What is the InChIKey of 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
The InChIKey is UMOMCZXYEOSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S4/c1-9-7-3-5-6(11-7)4-8(10-2)12-5/h3-4H,1-2H3.
What are the key properties of 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene has a molecular weight of 232.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 10704763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).