3-bromo-4-methylsulfanylthiophene

C5H5BrS2 — CID 14989519

IUPAC3-bromo-4-methylsulfanylthiophene
SMILESCSc1cscc1Br
InChIInChI=1S/C5H5BrS2/c1-7-5-3-8-2-4(5)6/h2-3H,1H3
InChIKeyPHAJZWXEVBDUOL-UHFFFAOYSA-N
MW209.13 g/mol
LogP3.23
Rot. Bonds1

About 3-bromo-4-methylsulfanylthiophene

3-bromo-4-methylsulfanylthiophene (PubChem CID 14989519) has the molecular formula C5H5BrS2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 3-bromo-4-methylsulfanylthiophene.

Molecular Properties

Compound Name3-bromo-4-methylsulfanylthiophene
PubChem CID14989519
Molecular FormulaC5H5BrS2
Molecular Weight209.13 g/mol
Exact Mass207.90
IUPAC Name3-bromo-4-methylsulfanylthiophene
SMILESCSc1cscc1Br
InChIInChI=1S/C5H5BrS2/c1-7-5-3-8-2-4(5)6/h2-3H,1H3
InChIKeyPHAJZWXEVBDUOL-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylsulfanylthiophene?
The IUPAC name of 3-bromo-4-methylsulfanylthiophene (CID 14989519) is 3-bromo-4-methylsulfanylthiophene.
What is the SMILES notation for 3-bromo-4-methylsulfanylthiophene?
The canonical SMILES for 3-bromo-4-methylsulfanylthiophene is CSc1cscc1Br.
What is the InChIKey of 3-bromo-4-methylsulfanylthiophene?
The InChIKey is PHAJZWXEVBDUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrS2/c1-7-5-3-8-2-4(5)6/h2-3H,1H3.
What are the key properties of 3-bromo-4-methylsulfanylthiophene?
3-bromo-4-methylsulfanylthiophene has a molecular weight of 209.13 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylsulfanylthiophene is sourced from PubChem (CID 14989519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).