3,5-dibromo-2-methylsulfanylthiophene

C5H4Br2S2 — CID 13177183

IUPAC3,5-dibromo-2-methylsulfanylthiophene
SMILESCSc1sc(Br)cc1Br
InChIInChI=1S/C5H4Br2S2/c1-8-5-3(6)2-4(7)9-5/h2H,1H3
InChIKeyVHZNUJVERVHCPL-UHFFFAOYSA-N
MW288.03 g/mol
LogP3.99
Rot. Bonds1

About 3,5-dibromo-2-methylsulfanylthiophene

3,5-dibromo-2-methylsulfanylthiophene (PubChem CID 13177183) has the molecular formula C5H4Br2S2 and a molecular weight of 288.03 g/mol. Its IUPAC name is 3,5-dibromo-2-methylsulfanylthiophene.

Molecular Properties

Compound Name3,5-dibromo-2-methylsulfanylthiophene
PubChem CID13177183
Molecular FormulaC5H4Br2S2
Molecular Weight288.03 g/mol
Exact Mass285.81
IUPAC Name3,5-dibromo-2-methylsulfanylthiophene
SMILESCSc1sc(Br)cc1Br
InChIInChI=1S/C5H4Br2S2/c1-8-5-3(6)2-4(7)9-5/h2H,1H3
InChIKeyVHZNUJVERVHCPL-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.03
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methylsulfanylthiophene?
The IUPAC name of 3,5-dibromo-2-methylsulfanylthiophene (CID 13177183) is 3,5-dibromo-2-methylsulfanylthiophene.
What is the SMILES notation for 3,5-dibromo-2-methylsulfanylthiophene?
The canonical SMILES for 3,5-dibromo-2-methylsulfanylthiophene is CSc1sc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-methylsulfanylthiophene?
The InChIKey is VHZNUJVERVHCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2S2/c1-8-5-3(6)2-4(7)9-5/h2H,1H3.
What are the key properties of 3,5-dibromo-2-methylsulfanylthiophene?
3,5-dibromo-2-methylsulfanylthiophene has a molecular weight of 288.03 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methylsulfanylthiophene is sourced from PubChem (CID 13177183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).