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

C7H2BrNS2 — CID 133059565

IUPAC5-bromothieno[2,3-b]thiophene-3-carbonitrile
SMILESN#Cc1csc2sc(Br)cc12
InChIInChI=1S/C7H2BrNS2/c8-6-1-5-4(2-9)3-10-7(5)11-6/h1,3H
InChIKeyWIGNJABAZFQLKP-UHFFFAOYSA-N
MW244.14 g/mol
LogP3.60
Rot. Bonds

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

5-bromothieno[2,3-b]thiophene-3-carbonitrile (PubChem CID 133059565) has the molecular formula C7H2BrNS2 and a molecular weight of 244.14 g/mol. Its IUPAC name is 5-bromothieno[2,3-b]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-bromothieno[2,3-b]thiophene-3-carbonitrile
PubChem CID133059565
Molecular FormulaC7H2BrNS2
Molecular Weight244.14 g/mol
Exact Mass242.88
IUPAC Name5-bromothieno[2,3-b]thiophene-3-carbonitrile
SMILESN#Cc1csc2sc(Br)cc12
InChIInChI=1S/C7H2BrNS2/c8-6-1-5-4(2-9)3-10-7(5)11-6/h1,3H
InChIKeyWIGNJABAZFQLKP-UHFFFAOYSA-N
XLogP3.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromothieno[2,3-b]thiophene-3-carbonitrile?
The IUPAC name of 5-bromothieno[2,3-b]thiophene-3-carbonitrile (CID 133059565) is 5-bromothieno[2,3-b]thiophene-3-carbonitrile.
What is the SMILES notation for 5-bromothieno[2,3-b]thiophene-3-carbonitrile?
The canonical SMILES for 5-bromothieno[2,3-b]thiophene-3-carbonitrile is N#Cc1csc2sc(Br)cc12.
What is the InChIKey of 5-bromothieno[2,3-b]thiophene-3-carbonitrile?
The InChIKey is WIGNJABAZFQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrNS2/c8-6-1-5-4(2-9)3-10-7(5)11-6/h1,3H.
What are the key properties of 5-bromothieno[2,3-b]thiophene-3-carbonitrile?
5-bromothieno[2,3-b]thiophene-3-carbonitrile has a molecular weight of 244.14 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothieno[2,3-b]thiophene-3-carbonitrile is sourced from PubChem (CID 133059565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).