5-iodothieno[3,2-b]thiophene-2-thiol

C6H3IS3 — CID 135211082

IUPAC5-iodothieno[3,2-b]thiophene-2-thiol
SMILESSc1cc2sc(I)cc2s1
InChIInChI=1S/C6H3IS3/c7-5-1-3-4(9-5)2-6(8)10-3/h1-2,8H
InChIKeyXNENIYHKFDVKCS-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.86
Rot. Bonds

About 5-iodothieno[3,2-b]thiophene-2-thiol

5-iodothieno[3,2-b]thiophene-2-thiol (PubChem CID 135211082) has the molecular formula C6H3IS3 and a molecular weight of 298.20 g/mol. Its IUPAC name is 5-iodothieno[3,2-b]thiophene-2-thiol.

Molecular Properties

Compound Name5-iodothieno[3,2-b]thiophene-2-thiol
PubChem CID135211082
Molecular FormulaC6H3IS3
Molecular Weight298.20 g/mol
Exact Mass297.84
IUPAC Name5-iodothieno[3,2-b]thiophene-2-thiol
SMILESSc1cc2sc(I)cc2s1
InChIInChI=1S/C6H3IS3/c7-5-1-3-4(9-5)2-6(8)10-3/h1-2,8H
InChIKeyXNENIYHKFDVKCS-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thieno(3,2-b)thiophene
CID 136063
Stannane, 1,1'-thieno[3,2-b]thiophene-2,5-diylbis[1,1,1-trimethyl-
CID 12978043
Fluoro-thieno-thiophene
CID 89755518
2-Iodothieno[3,2-b]thiophene
CID 15272127
2-(Methylthio)thieno[3,2-b]thiophene
CID 15766513
Thieno(2,3-b)thiophene, 2-iodo-
CID 142997
Thieno(2,3-b)thiophene, 3-iodo-
CID 142998
2,5-Bis(methylsulfanyl)thieno[3,2-b]thiophene
CID 10704763
2,5-Diiodothieno[2,3-b]thiophene
CID 23070263
2,6-Diiodo-dithieno[3,2-b;2',3'-d]thiophene
CID 23522097
2,5-Diiodothieno[3,2-b]thiophene
CID 53485549
2,5-Difluorothieno[3,2-b]thiophene
CID 131986529

Frequently Asked Questions

What is the IUPAC name of 5-iodothieno[3,2-b]thiophene-2-thiol?
The IUPAC name of 5-iodothieno[3,2-b]thiophene-2-thiol (CID 135211082) is 5-iodothieno[3,2-b]thiophene-2-thiol.
What is the SMILES notation for 5-iodothieno[3,2-b]thiophene-2-thiol?
The canonical SMILES for 5-iodothieno[3,2-b]thiophene-2-thiol is Sc1cc2sc(I)cc2s1.
What is the InChIKey of 5-iodothieno[3,2-b]thiophene-2-thiol?
The InChIKey is XNENIYHKFDVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IS3/c7-5-1-3-4(9-5)2-6(8)10-3/h1-2,8H.
What are the key properties of 5-iodothieno[3,2-b]thiophene-2-thiol?
5-iodothieno[3,2-b]thiophene-2-thiol has a molecular weight of 298.20 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodothieno[3,2-b]thiophene-2-thiol is sourced from PubChem (CID 135211082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).