3-bromo-2,4,5-tris(methylsulfanyl)thiophene

C7H9BrS4 — CID 819118

IUPAC3-bromo-2,4,5-tris(methylsulfanyl)thiophene
SMILESCSc1sc(SC)c(SC)c1Br
InChIInChI=1S/C7H9BrS4/c1-9-5-4(8)6(10-2)12-7(5)11-3/h1-3H3
InChIKeyAZSSRRDLWICHFK-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.68
Rot. Bonds3

About 3-bromo-2,4,5-tris(methylsulfanyl)thiophene

3-bromo-2,4,5-tris(methylsulfanyl)thiophene (PubChem CID 819118) has the molecular formula C7H9BrS4 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-bromo-2,4,5-tris(methylsulfanyl)thiophene.

Molecular Properties

Compound Name3-bromo-2,4,5-tris(methylsulfanyl)thiophene
PubChem CID819118
Molecular FormulaC7H9BrS4
Molecular Weight301.32 g/mol
Exact Mass299.88
IUPAC Name3-bromo-2,4,5-tris(methylsulfanyl)thiophene
SMILESCSc1sc(SC)c(SC)c1Br
InChIInChI=1S/C7H9BrS4/c1-9-5-4(8)6(10-2)12-7(5)11-3/h1-3H3
InChIKeyAZSSRRDLWICHFK-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,5-tris(methylsulfanyl)thiophene?
The IUPAC name of 3-bromo-2,4,5-tris(methylsulfanyl)thiophene (CID 819118) is 3-bromo-2,4,5-tris(methylsulfanyl)thiophene.
What is the SMILES notation for 3-bromo-2,4,5-tris(methylsulfanyl)thiophene?
The canonical SMILES for 3-bromo-2,4,5-tris(methylsulfanyl)thiophene is CSc1sc(SC)c(SC)c1Br.
What is the InChIKey of 3-bromo-2,4,5-tris(methylsulfanyl)thiophene?
The InChIKey is AZSSRRDLWICHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrS4/c1-9-5-4(8)6(10-2)12-7(5)11-3/h1-3H3.
What are the key properties of 3-bromo-2,4,5-tris(methylsulfanyl)thiophene?
3-bromo-2,4,5-tris(methylsulfanyl)thiophene has a molecular weight of 301.32 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,5-tris(methylsulfanyl)thiophene is sourced from PubChem (CID 819118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).