bis(3-methoxy-4-thiophen-2-ylphenyl)diazene

C22H18N2O2S2 — CID 134812992

IUPACbis(3-methoxy-4-thiophen-2-ylphenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(-c3cccs3)c(OC)c2)ccc1-c1cccs1
InChIInChI=1S/C22H18N2O2S2/c1-25-19-13-15(7-9-17(19)21-5-3-11-27-21)23-24-16-8-10-18(20(14-16)26-2)22-6-4-12-28-22/h3-14H,1-2H3/b24-23+
InChIKeyULQSMJHDXVYYOE-WCWDXBQESA-N
MW406.53 g/mol
LogP7.58
Rot. Bonds6

About bis(3-methoxy-4-thiophen-2-ylphenyl)diazene

bis(3-methoxy-4-thiophen-2-ylphenyl)diazene (PubChem CID 134812992) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is bis(3-methoxy-4-thiophen-2-ylphenyl)diazene.

Molecular Properties

Compound Namebis(3-methoxy-4-thiophen-2-ylphenyl)diazene
PubChem CID134812992
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Namebis(3-methoxy-4-thiophen-2-ylphenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(-c3cccs3)c(OC)c2)ccc1-c1cccs1
InChIInChI=1S/C22H18N2O2S2/c1-25-19-13-15(7-9-17(19)21-5-3-11-27-21)23-24-16-8-10-18(20(14-16)26-2)22-6-4-12-28-22/h3-14H,1-2H3/b24-23+
InChIKeyULQSMJHDXVYYOE-WCWDXBQESA-N
XLogP7.58
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-4-thiophen-2-ylphenyl)diazene?
The IUPAC name of bis(3-methoxy-4-thiophen-2-ylphenyl)diazene (CID 134812992) is bis(3-methoxy-4-thiophen-2-ylphenyl)diazene.
What is the SMILES notation for bis(3-methoxy-4-thiophen-2-ylphenyl)diazene?
The canonical SMILES for bis(3-methoxy-4-thiophen-2-ylphenyl)diazene is COc1cc(/N=N/c2ccc(-c3cccs3)c(OC)c2)ccc1-c1cccs1.
What is the InChIKey of bis(3-methoxy-4-thiophen-2-ylphenyl)diazene?
The InChIKey is ULQSMJHDXVYYOE-WCWDXBQESA-N. The full InChI is InChI=1S/C22H18N2O2S2/c1-25-19-13-15(7-9-17(19)21-5-3-11-27-21)23-24-16-8-10-18(20(14-16)26-2)22-6-4-12-28-22/h3-14H,1-2H3/b24-23+.
What are the key properties of bis(3-methoxy-4-thiophen-2-ylphenyl)diazene?
bis(3-methoxy-4-thiophen-2-ylphenyl)diazene has a molecular weight of 406.53 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-4-thiophen-2-ylphenyl)diazene is sourced from PubChem (CID 134812992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).