thiophene

C4H4S — CID 8030

IUPACthiophene
SMILESc1ccsc1
InChIInChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChIKeyYTPLMLYBLZKORZ-UHFFFAOYSA-N
MW84.14 g/mol
LogP1.75
Rot. Bonds

About thiophene

thiophene (PubChem CID 8030) has the molecular formula C4H4S and a molecular weight of 84.14 g/mol. Its IUPAC name is thiophene.

Molecular Properties

Compound Namethiophene
PubChem CID8030
Molecular FormulaC4H4S
Molecular Weight84.14 g/mol
Exact Mass84.00
IUPAC Namethiophene
SMILESc1ccsc1
InChIInChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChIKeyYTPLMLYBLZKORZ-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of thiophene?
The IUPAC name of thiophene (CID 8030) is thiophene.
What is the SMILES notation for thiophene?
The canonical SMILES for thiophene is c1ccsc1.
What is the InChIKey of thiophene?
The InChIKey is YTPLMLYBLZKORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H.
What are the key properties of thiophene?
thiophene has a molecular weight of 84.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene is sourced from PubChem (CID 8030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).