2,3,5-tribromo-4-methylthiophene

C5H3Br3S — CID 3017801

IUPAC2,3,5-tribromo-4-methylthiophene
SMILESCc1c(Br)sc(Br)c1Br
InChIInChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
InChIKeyDTLNXOZXOZCNMX-UHFFFAOYSA-N
MW334.86 g/mol
LogP4.34
Rot. Bonds

About 2,3,5-tribromo-4-methylthiophene

2,3,5-tribromo-4-methylthiophene (PubChem CID 3017801) has the molecular formula C5H3Br3S and a molecular weight of 334.86 g/mol. Its IUPAC name is 2,3,5-tribromo-4-methylthiophene.

Molecular Properties

Compound Name2,3,5-tribromo-4-methylthiophene
PubChem CID3017801
Molecular FormulaC5H3Br3S
Molecular Weight334.86 g/mol
Exact Mass331.75
IUPAC Name2,3,5-tribromo-4-methylthiophene
SMILESCc1c(Br)sc(Br)c1Br
InChIInChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
InChIKeyDTLNXOZXOZCNMX-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.86
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tribromo-4-methylthiophene?
The IUPAC name of 2,3,5-tribromo-4-methylthiophene (CID 3017801) is 2,3,5-tribromo-4-methylthiophene.
What is the SMILES notation for 2,3,5-tribromo-4-methylthiophene?
The canonical SMILES for 2,3,5-tribromo-4-methylthiophene is Cc1c(Br)sc(Br)c1Br.
What is the InChIKey of 2,3,5-tribromo-4-methylthiophene?
The InChIKey is DTLNXOZXOZCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3.
What are the key properties of 2,3,5-tribromo-4-methylthiophene?
2,3,5-tribromo-4-methylthiophene has a molecular weight of 334.86 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromo-4-methylthiophene is sourced from PubChem (CID 3017801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).