thieno[3,2-b]thiophene-2,5-dithiol

C6H4S4 — CID 609297

IUPACthieno[3,2-b]thiophene-2,5-dithiol
SMILESSc1cc2sc(S)cc2s1
InChIInChI=1S/C6H4S4/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2,7-8H
InChIKeyHBZRBRQKAKCIBF-UHFFFAOYSA-N
MW204.37 g/mol
LogP3.54
Rot. Bonds

About thieno[3,2-b]thiophene-2,5-dithiol

thieno[3,2-b]thiophene-2,5-dithiol (PubChem CID 609297) has the molecular formula C6H4S4 and a molecular weight of 204.37 g/mol. Its IUPAC name is thieno[3,2-b]thiophene-2,5-dithiol.

Molecular Properties

Compound Namethieno[3,2-b]thiophene-2,5-dithiol
PubChem CID609297
Molecular FormulaC6H4S4
Molecular Weight204.37 g/mol
Exact Mass203.92
IUPAC Namethieno[3,2-b]thiophene-2,5-dithiol
SMILESSc1cc2sc(S)cc2s1
InChIInChI=1S/C6H4S4/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2,7-8H
InChIKeyHBZRBRQKAKCIBF-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 thieno[3,2-b]thiophene-2,5-dithiol?
The IUPAC name of thieno[3,2-b]thiophene-2,5-dithiol (CID 609297) is thieno[3,2-b]thiophene-2,5-dithiol.
What is the SMILES notation for thieno[3,2-b]thiophene-2,5-dithiol?
The canonical SMILES for thieno[3,2-b]thiophene-2,5-dithiol is Sc1cc2sc(S)cc2s1.
What is the InChIKey of thieno[3,2-b]thiophene-2,5-dithiol?
The InChIKey is HBZRBRQKAKCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4S4/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2,7-8H.
What are the key properties of thieno[3,2-b]thiophene-2,5-dithiol?
thieno[3,2-b]thiophene-2,5-dithiol has a molecular weight of 204.37 g/mol, XLogP of 3.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]thiophene-2,5-dithiol is sourced from PubChem (CID 609297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).