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

C8H10Br2S3 — CID 2245975

IUPAC3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene
SMILESCCSc1sc(SCC)c(Br)c1Br
InChIInChI=1S/C8H10Br2S3/c1-3-11-7-5(9)6(10)8(13-7)12-4-2/h3-4H2,1-2H3
InChIKeyBDOFSMWORIVEOL-UHFFFAOYSA-N
MW362.18 g/mol
LogP5.50
Rot. Bonds4

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

3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene (PubChem CID 2245975) has the molecular formula C8H10Br2S3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene.

Molecular Properties

Compound Name3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene
PubChem CID2245975
Molecular FormulaC8H10Br2S3
Molecular Weight362.18 g/mol
Exact Mass359.83
IUPAC Name3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene
SMILESCCSc1sc(SCC)c(Br)c1Br
InChIInChI=1S/C8H10Br2S3/c1-3-11-7-5(9)6(10)8(13-7)12-4-2/h3-4H2,1-2H3
InChIKeyBDOFSMWORIVEOL-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.18
LogP ≤ 55.50
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(ethylsulfanyl)thiophene?
The IUPAC name of 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene (CID 2245975) is 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene.
What is the SMILES notation for 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene?
The canonical SMILES for 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene is CCSc1sc(SCC)c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene?
The InChIKey is BDOFSMWORIVEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2S3/c1-3-11-7-5(9)6(10)8(13-7)12-4-2/h3-4H2,1-2H3.
What are the key properties of 3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene?
3,4-dibromo-2,5-bis(ethylsulfanyl)thiophene has a molecular weight of 362.18 g/mol, XLogP of 5.50, 4 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(ethylsulfanyl)thiophene is sourced from PubChem (CID 2245975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).