2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C15H10N2O2S2 — CID 80738587

IUPAC2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1cc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2s1
InChIInChI=1S/C15H10N2O2S2/c1-4-20-13-7-14(21-12(1)13)15-16-8-5-10-11(6-9(8)17-15)19-3-2-18-10/h1,4-7H,2-3H2,(H,16,17)
InChIKeyYHFHHFVCFMEBPW-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.28
Rot. Bonds1

About 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 80738587) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID80738587
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC Name2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1cc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2s1
InChIInChI=1S/C15H10N2O2S2/c1-4-20-13-7-14(21-12(1)13)15-16-8-5-10-11(6-9(8)17-15)19-3-2-18-10/h1,4-7H,2-3H2,(H,16,17)
InChIKeyYHFHHFVCFMEBPW-UHFFFAOYSA-N
XLogP4.28
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 80738587) is 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1cc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2s1.
What is the InChIKey of 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is YHFHHFVCFMEBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c1-4-20-13-7-14(21-12(1)13)15-16-8-5-10-11(6-9(8)17-15)19-3-2-18-10/h1,4-7H,2-3H2,(H,16,17).
What are the key properties of 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 314.39 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 80738587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).