3,4-dibromo-2,5-bis(methylsulfanyl)thiophene

C6H6Br2S3 — CID 678406

IUPAC3,4-dibromo-2,5-bis(methylsulfanyl)thiophene
SMILESCSc1sc(SC)c(Br)c1Br
InChIInChI=1S/C6H6Br2S3/c1-9-5-3(7)4(8)6(10-2)11-5/h1-2H3
InChIKeyKGOPEIOBSMFCAK-UHFFFAOYSA-N
MW334.12 g/mol
LogP4.72
Rot. Bonds2

About 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene

3,4-dibromo-2,5-bis(methylsulfanyl)thiophene (PubChem CID 678406) has the molecular formula C6H6Br2S3 and a molecular weight of 334.12 g/mol. Its IUPAC name is 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene.

Molecular Properties

Compound Name3,4-dibromo-2,5-bis(methylsulfanyl)thiophene
PubChem CID678406
Molecular FormulaC6H6Br2S3
Molecular Weight334.12 g/mol
Exact Mass331.80
IUPAC Name3,4-dibromo-2,5-bis(methylsulfanyl)thiophene
SMILESCSc1sc(SC)c(Br)c1Br
InChIInChI=1S/C6H6Br2S3/c1-9-5-3(7)4(8)6(10-2)11-5/h1-2H3
InChIKeyKGOPEIOBSMFCAK-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene?
The IUPAC name of 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene (CID 678406) is 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene.
What is the SMILES notation for 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene?
The canonical SMILES for 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene is CSc1sc(SC)c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene?
The InChIKey is KGOPEIOBSMFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2S3/c1-9-5-3(7)4(8)6(10-2)11-5/h1-2H3.
What are the key properties of 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene?
3,4-dibromo-2,5-bis(methylsulfanyl)thiophene has a molecular weight of 334.12 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2,5-bis(methylsulfanyl)thiophene is sourced from PubChem (CID 678406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).