azuleno[1,2-b]thiophene

C12H8S — CID 5257479

IUPACazuleno[1,2-b]thiophene
SMILESc1ccc2cc3ccsc3c-2cc1
InChIInChI=1S/C12H8S/c1-2-4-9-8-10-6-7-13-12(10)11(9)5-3-1/h1-8H
InChIKeyAYTCEVSTYDFOLI-UHFFFAOYSA-N
MW184.26 g/mol
LogP4.01
Rot. Bonds

About azuleno[1,2-b]thiophene

azuleno[1,2-b]thiophene (PubChem CID 5257479) has the molecular formula C12H8S and a molecular weight of 184.26 g/mol. Its IUPAC name is azuleno[1,2-b]thiophene.

Molecular Properties

Compound Nameazuleno[1,2-b]thiophene
PubChem CID5257479
Molecular FormulaC12H8S
Molecular Weight184.26 g/mol
Exact Mass184.03
IUPAC Nameazuleno[1,2-b]thiophene
SMILESc1ccc2cc3ccsc3c-2cc1
InChIInChI=1S/C12H8S/c1-2-4-9-8-10-6-7-13-12(10)11(9)5-3-1/h1-8H
InChIKeyAYTCEVSTYDFOLI-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azuleno[1,2-b]thiophene?
The IUPAC name of azuleno[1,2-b]thiophene (CID 5257479) is azuleno[1,2-b]thiophene.
What is the SMILES notation for azuleno[1,2-b]thiophene?
The canonical SMILES for azuleno[1,2-b]thiophene is c1ccc2cc3ccsc3c-2cc1.
What is the InChIKey of azuleno[1,2-b]thiophene?
The InChIKey is AYTCEVSTYDFOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S/c1-2-4-9-8-10-6-7-13-12(10)11(9)5-3-1/h1-8H.
What are the key properties of azuleno[1,2-b]thiophene?
azuleno[1,2-b]thiophene has a molecular weight of 184.26 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azuleno[1,2-b]thiophene is sourced from PubChem (CID 5257479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).