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

C7H4N2S2 — CID 133058076

IUPAC5-aminothieno[2,3-b]thiophene-3-carbonitrile
SMILESN#Cc1csc2sc(N)cc12
InChIInChI=1S/C7H4N2S2/c8-2-4-3-10-7-5(4)1-6(9)11-7/h1,3H,9H2
InChIKeyBWHURUVHISTVAZ-UHFFFAOYSA-N
MW180.26 g/mol
LogP2.42
Rot. Bonds

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

5-aminothieno[2,3-b]thiophene-3-carbonitrile (PubChem CID 133058076) has the molecular formula C7H4N2S2 and a molecular weight of 180.26 g/mol. Its IUPAC name is 5-aminothieno[2,3-b]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-aminothieno[2,3-b]thiophene-3-carbonitrile
PubChem CID133058076
Molecular FormulaC7H4N2S2
Molecular Weight180.26 g/mol
Exact Mass179.98
IUPAC Name5-aminothieno[2,3-b]thiophene-3-carbonitrile
SMILESN#Cc1csc2sc(N)cc12
InChIInChI=1S/C7H4N2S2/c8-2-4-3-10-7-5(4)1-6(9)11-7/h1,3H,9H2
InChIKeyBWHURUVHISTVAZ-UHFFFAOYSA-N
XLogP2.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-aminothieno[2,3-b]thiophene-3-carbonitrile?
The IUPAC name of 5-aminothieno[2,3-b]thiophene-3-carbonitrile (CID 133058076) is 5-aminothieno[2,3-b]thiophene-3-carbonitrile.
What is the SMILES notation for 5-aminothieno[2,3-b]thiophene-3-carbonitrile?
The canonical SMILES for 5-aminothieno[2,3-b]thiophene-3-carbonitrile is N#Cc1csc2sc(N)cc12.
What is the InChIKey of 5-aminothieno[2,3-b]thiophene-3-carbonitrile?
The InChIKey is BWHURUVHISTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2S2/c8-2-4-3-10-7-5(4)1-6(9)11-7/h1,3H,9H2.
What are the key properties of 5-aminothieno[2,3-b]thiophene-3-carbonitrile?
5-aminothieno[2,3-b]thiophene-3-carbonitrile has a molecular weight of 180.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminothieno[2,3-b]thiophene-3-carbonitrile is sourced from PubChem (CID 133058076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).