4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile

C14H6ClN3S2 — CID 2820135

IUPAC4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile
SMILESN#Cc1sc2sc(C#N)c(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C14H6ClN3S2/c15-8-3-1-7(2-4-8)11-9(5-16)19-14-12(11)13(18)10(6-17)20-14/h1-4H,18H2
InChIKeyFCSTYQIDLVYPCO-UHFFFAOYSA-N
MW315.81 g/mol
LogP4.61
Rot. Bonds1

About 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile

4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile (PubChem CID 2820135) has the molecular formula C14H6ClN3S2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile
PubChem CID2820135
Molecular FormulaC14H6ClN3S2
Molecular Weight315.81 g/mol
Exact Mass314.97
IUPAC Name4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile
SMILESN#Cc1sc2sc(C#N)c(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C14H6ClN3S2/c15-8-3-1-7(2-4-8)11-9(5-16)19-14-12(11)13(18)10(6-17)20-14/h1-4H,18H2
InChIKeyFCSTYQIDLVYPCO-UHFFFAOYSA-N
XLogP4.61
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile?
The IUPAC name of 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile (CID 2820135) is 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile is N#Cc1sc2sc(C#N)c(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile?
The InChIKey is FCSTYQIDLVYPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClN3S2/c15-8-3-1-7(2-4-8)11-9(5-16)19-14-12(11)13(18)10(6-17)20-14/h1-4H,18H2.
What are the key properties of 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile?
4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile has a molecular weight of 315.81 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile is sourced from PubChem (CID 2820135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).