3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene

C8H6Br2S4 — CID 10739123

IUPAC3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
SMILESCSc1sc2c(Br)c(SC)sc2c1Br
InChIInChI=1S/C8H6Br2S4/c1-11-7-3(9)5-6(13-7)4(10)8(12-2)14-5/h1-2H3
InChIKeyDJIJCHVJXVJSDJ-UHFFFAOYSA-N
MW390.21 g/mol
LogP5.93
Rot. Bonds2

About 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene

3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene (PubChem CID 10739123) has the molecular formula C8H6Br2S4 and a molecular weight of 390.21 g/mol. Its IUPAC name is 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
PubChem CID10739123
Molecular FormulaC8H6Br2S4
Molecular Weight390.21 g/mol
Exact Mass387.77
IUPAC Name3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
SMILESCSc1sc2c(Br)c(SC)sc2c1Br
InChIInChI=1S/C8H6Br2S4/c1-11-7-3(9)5-6(13-7)4(10)8(12-2)14-5/h1-2H3
InChIKeyDJIJCHVJXVJSDJ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.21
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
The IUPAC name of 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene (CID 10739123) is 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene is CSc1sc2c(Br)c(SC)sc2c1Br.
What is the InChIKey of 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
The InChIKey is DJIJCHVJXVJSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2S4/c1-11-7-3(9)5-6(13-7)4(10)8(12-2)14-5/h1-2H3.
What are the key properties of 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene?
3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene has a molecular weight of 390.21 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 10739123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).