3,5-dibromo-2-chlorothiophene

C4HBr2ClS — CID 13011177

IUPAC3,5-dibromo-2-chlorothiophene
SMILESClc1sc(Br)cc1Br
InChIInChI=1S/C4HBr2ClS/c5-2-1-3(6)8-4(2)7/h1H
InChIKeyNWWJGDMQJADJET-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.93
Rot. Bonds

About 3,5-dibromo-2-chlorothiophene

3,5-dibromo-2-chlorothiophene (PubChem CID 13011177) has the molecular formula C4HBr2ClS and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,5-dibromo-2-chlorothiophene.

Molecular Properties

Compound Name3,5-dibromo-2-chlorothiophene
PubChem CID13011177
Molecular FormulaC4HBr2ClS
Molecular Weight276.38 g/mol
Exact Mass273.79
IUPAC Name3,5-dibromo-2-chlorothiophene
SMILESClc1sc(Br)cc1Br
InChIInChI=1S/C4HBr2ClS/c5-2-1-3(6)8-4(2)7/h1H
InChIKeyNWWJGDMQJADJET-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-chlorothiophene?
The IUPAC name of 3,5-dibromo-2-chlorothiophene (CID 13011177) is 3,5-dibromo-2-chlorothiophene.
What is the SMILES notation for 3,5-dibromo-2-chlorothiophene?
The canonical SMILES for 3,5-dibromo-2-chlorothiophene is Clc1sc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-chlorothiophene?
The InChIKey is NWWJGDMQJADJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr2ClS/c5-2-1-3(6)8-4(2)7/h1H.
What are the key properties of 3,5-dibromo-2-chlorothiophene?
3,5-dibromo-2-chlorothiophene has a molecular weight of 276.38 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-chlorothiophene is sourced from PubChem (CID 13011177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).