5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C10H6Br2O2S2 — CID 90371729

IUPAC5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1ccc(-c2sc(Br)c3c2OCCO3)s1
InChIInChI=1S/C10H6Br2O2S2/c11-6-2-1-5(15-6)9-7-8(10(12)16-9)14-4-3-13-7/h1-2H,3-4H2
InChIKeyBNDLPHGQZUWJPX-UHFFFAOYSA-N
MW382.10 g/mol
LogP4.77
Rot. Bonds1

About 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 90371729) has the molecular formula C10H6Br2O2S2 and a molecular weight of 382.10 g/mol. Its IUPAC name is 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID90371729
Molecular FormulaC10H6Br2O2S2
Molecular Weight382.10 g/mol
Exact Mass379.82
IUPAC Name5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1ccc(-c2sc(Br)c3c2OCCO3)s1
InChIInChI=1S/C10H6Br2O2S2/c11-6-2-1-5(15-6)9-7-8(10(12)16-9)14-4-3-13-7/h1-2H,3-4H2
InChIKeyBNDLPHGQZUWJPX-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylpropanenitrile
CID 5246968
Thieno[3,4-b]-1,4-dioxin,2,3-dihydro-5-(2-thienyl)-
CID 15488041
7,7'-Dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 21049574
5,7-Di(thiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59489445
5-Bromo-7-[(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59591619
5-Bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 15488040
5-(3-Bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 102576628
2,5-Dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene
CID 58309363
4,10-Dibromo-5-[2-(2-methoxyethoxy)ethoxy]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 58309374
5-Bromo-7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 58330965
7-Methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59725280
3,4-Bis(prop-2-enoxy)-2-thiophen-2-ylthiophene
CID 69676052

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 90371729) is 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Brc1ccc(-c2sc(Br)c3c2OCCO3)s1.
What is the InChIKey of 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is BNDLPHGQZUWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O2S2/c11-6-2-1-5(15-6)9-7-8(10(12)16-9)14-4-3-13-7/h1-2H,3-4H2.
What are the key properties of 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 382.10 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(5-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 90371729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).