thiophene

C12H12S3 — CID 66625890

IUPACthiophene
SMILESc1ccsc1.c1ccsc1.c1ccsc1
InChIInChI=1S/3C4H4S/c3*1-2-4-5-3-1/h3*1-4H
InChIKeyWXCCPPDDPPXWRZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP5.24
Rot. Bonds

About thiophene

thiophene (PubChem CID 66625890) has the molecular formula C12H12S3 and a molecular weight of 252.43 g/mol. Its IUPAC name is thiophene.

Molecular Properties

Compound Namethiophene
PubChem CID66625890
Molecular FormulaC12H12S3
Molecular Weight252.43 g/mol
Exact Mass252.01
IUPAC Namethiophene
SMILESc1ccsc1.c1ccsc1.c1ccsc1
InChIInChI=1S/3C4H4S/c3*1-2-4-5-3-1/h3*1-4H
InChIKeyWXCCPPDDPPXWRZ-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene?
The IUPAC name of thiophene (CID 66625890) is thiophene.
What is the SMILES notation for thiophene?
The canonical SMILES for thiophene is c1ccsc1.c1ccsc1.c1ccsc1.
What is the InChIKey of thiophene?
The InChIKey is WXCCPPDDPPXWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H4S/c3*1-2-4-5-3-1/h3*1-4H.
What are the key properties of thiophene?
thiophene has a molecular weight of 252.43 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene is sourced from PubChem (CID 66625890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).