5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile

C7H3BrN2S2 — CID 12526366

IUPAC5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile
SMILESN#Cc1c(N)sc2sc(Br)cc12
InChIInChI=1S/C7H3BrN2S2/c8-5-1-3-4(2-9)6(10)12-7(3)11-5/h1H,10H2
InChIKeyAJEWOXZXCXOTMC-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.18
Rot. Bonds

About 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile

5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile (PubChem CID 12526366) has the molecular formula C7H3BrN2S2 and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile
PubChem CID12526366
Molecular FormulaC7H3BrN2S2
Molecular Weight259.15 g/mol
Exact Mass257.89
IUPAC Name5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile
SMILESN#Cc1c(N)sc2sc(Br)cc12
InChIInChI=1S/C7H3BrN2S2/c8-5-1-3-4(2-9)6(10)12-7(3)11-5/h1H,10H2
InChIKeyAJEWOXZXCXOTMC-UHFFFAOYSA-N
XLogP3.18
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile?
The IUPAC name of 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile (CID 12526366) is 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile.
What is the SMILES notation for 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile?
The canonical SMILES for 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile is N#Cc1c(N)sc2sc(Br)cc12.
What is the InChIKey of 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile?
The InChIKey is AJEWOXZXCXOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2S2/c8-5-1-3-4(2-9)6(10)12-7(3)11-5/h1H,10H2.
What are the key properties of 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile?
5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile has a molecular weight of 259.15 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromothieno[2,3-b]thiophene-4-carbonitrile is sourced from PubChem (CID 12526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).