3-ethylsulfanylthiophene

C6H8S2 — CID 528920

IUPAC3-ethylsulfanylthiophene
SMILESCCSc1ccsc1
InChIInChI=1S/C6H8S2/c1-2-8-6-3-4-7-5-6/h3-5H,2H2,1H3
InChIKeyUBWDXOWKUVMGNS-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.86
Rot. Bonds2

About 3-ethylsulfanylthiophene

3-ethylsulfanylthiophene (PubChem CID 528920) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethylsulfanylthiophene.

Molecular Properties

Compound Name3-ethylsulfanylthiophene
PubChem CID528920
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name3-ethylsulfanylthiophene
SMILESCCSc1ccsc1
InChIInChI=1S/C6H8S2/c1-2-8-6-3-4-7-5-6/h3-5H,2H2,1H3
InChIKeyUBWDXOWKUVMGNS-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylthiophene?
The IUPAC name of 3-ethylsulfanylthiophene (CID 528920) is 3-ethylsulfanylthiophene.
What is the SMILES notation for 3-ethylsulfanylthiophene?
The canonical SMILES for 3-ethylsulfanylthiophene is CCSc1ccsc1.
What is the InChIKey of 3-ethylsulfanylthiophene?
The InChIKey is UBWDXOWKUVMGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-2-8-6-3-4-7-5-6/h3-5H,2H2,1H3.
What are the key properties of 3-ethylsulfanylthiophene?
3-ethylsulfanylthiophene has a molecular weight of 144.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylthiophene is sourced from PubChem (CID 528920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).