3-bromo-4-ethylsulfanylthiophene

C6H7BrS2 — CID 13155870

IUPAC3-bromo-4-ethylsulfanylthiophene
SMILESCCSc1cscc1Br
InChIInChI=1S/C6H7BrS2/c1-2-9-6-4-8-3-5(6)7/h3-4H,2H2,1H3
InChIKeyPOSXCRNNLLLCAB-UHFFFAOYSA-N
MW223.16 g/mol
LogP3.62
Rot. Bonds2

About 3-bromo-4-ethylsulfanylthiophene

3-bromo-4-ethylsulfanylthiophene (PubChem CID 13155870) has the molecular formula C6H7BrS2 and a molecular weight of 223.16 g/mol. Its IUPAC name is 3-bromo-4-ethylsulfanylthiophene.

Molecular Properties

Compound Name3-bromo-4-ethylsulfanylthiophene
PubChem CID13155870
Molecular FormulaC6H7BrS2
Molecular Weight223.16 g/mol
Exact Mass221.92
IUPAC Name3-bromo-4-ethylsulfanylthiophene
SMILESCCSc1cscc1Br
InChIInChI=1S/C6H7BrS2/c1-2-9-6-4-8-3-5(6)7/h3-4H,2H2,1H3
InChIKeyPOSXCRNNLLLCAB-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromothiophene
CID 13383
3,4-Dibromothiophene
CID 18452
2,3,4-Tribromothiophene
CID 76593
3-Bromo-4-methylthiophene
CID 2734935
3,4-Dibromo-2,5-bis(methylthio)thiophene
CID 678406
3-Bromo-4-iodothiophene
CID 12624183
Thiophene, 3,3'-thiobis(4-bromo-
CID 141422
3,4-Dibromo-2,5-bis(ethylthio)thiophene
CID 2245975
Thiophene, 4-bromo-2-(methylthio)-
CID 10262491
Methyl 3,5-dibromo-2-thienyl sulfide
CID 13177183
3-Bromo-2-(methylthio)thiophene
CID 13354810
3-Bromo-4-(methylsulfanyl)thiophene
CID 14989519

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethylsulfanylthiophene?
The IUPAC name of 3-bromo-4-ethylsulfanylthiophene (CID 13155870) is 3-bromo-4-ethylsulfanylthiophene.
What is the SMILES notation for 3-bromo-4-ethylsulfanylthiophene?
The canonical SMILES for 3-bromo-4-ethylsulfanylthiophene is CCSc1cscc1Br.
What is the InChIKey of 3-bromo-4-ethylsulfanylthiophene?
The InChIKey is POSXCRNNLLLCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS2/c1-2-9-6-4-8-3-5(6)7/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-4-ethylsulfanylthiophene?
3-bromo-4-ethylsulfanylthiophene has a molecular weight of 223.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethylsulfanylthiophene is sourced from PubChem (CID 13155870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).