thiophene-3,4-dithiol

C4H4S3 — CID 12908697

IUPACthiophene-3,4-dithiol
SMILESSc1cscc1S
InChIInChI=1S/C4H4S3/c5-3-1-7-2-4(3)6/h1-2,5-6H
InChIKeyTWXMZYPORGXIFB-UHFFFAOYSA-N
MW148.28 g/mol
LogP2.33
Rot. Bonds

About thiophene-3,4-dithiol

thiophene-3,4-dithiol (PubChem CID 12908697) has the molecular formula C4H4S3 and a molecular weight of 148.28 g/mol. Its IUPAC name is thiophene-3,4-dithiol.

Molecular Properties

Compound Namethiophene-3,4-dithiol
PubChem CID12908697
Molecular FormulaC4H4S3
Molecular Weight148.28 g/mol
Exact Mass147.95
IUPAC Namethiophene-3,4-dithiol
SMILESSc1cscc1S
InChIInChI=1S/C4H4S3/c5-3-1-7-2-4(3)6/h1-2,5-6H
InChIKeyTWXMZYPORGXIFB-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiophene-3,4-dithiol?
The IUPAC name of thiophene-3,4-dithiol (CID 12908697) is thiophene-3,4-dithiol.
What is the SMILES notation for thiophene-3,4-dithiol?
The canonical SMILES for thiophene-3,4-dithiol is Sc1cscc1S.
What is the InChIKey of thiophene-3,4-dithiol?
The InChIKey is TWXMZYPORGXIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S3/c5-3-1-7-2-4(3)6/h1-2,5-6H.
What are the key properties of thiophene-3,4-dithiol?
thiophene-3,4-dithiol has a molecular weight of 148.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3,4-dithiol is sourced from PubChem (CID 12908697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).