12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea

C13H5N27S — CID 58716252

IUPAC12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea
SMILESN/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/C#CC#CC#CC#CC#CC#CNC(N)=S
InChIInChI=1S/C13H5N27S/c14-13(41)16-11-9-7-5-3-1-2-4-6-8-10-12-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-15/h(H3,14,16,41)(H2,15,17,20,21,24,25,28,29,32,33,36,37,40)
InChIKeyBYJPUBMUVCNKFF-UHFFFAOYSA-N
MW571.44 g/mol
LogP3.12
Rot. Bonds11

About 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea

12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea (PubChem CID 58716252) has the molecular formula C13H5N27S and a molecular weight of 571.44 g/mol. Its IUPAC name is 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea.

Molecular Properties

Compound Name12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea
PubChem CID58716252
Molecular FormulaC13H5N27S
Molecular Weight571.44 g/mol
Exact Mass571.09
IUPAC Name12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea
SMILESN/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/C#CC#CC#CC#CC#CC#CNC(N)=S
InChIInChI=1S/C13H5N27S/c14-13(41)16-11-9-7-5-3-1-2-4-6-8-10-12-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-15/h(H3,14,16,41)(H2,15,17,20,21,24,25,28,29,32,33,36,37,40)
InChIKeyBYJPUBMUVCNKFF-UHFFFAOYSA-N
XLogP3.12
TPSA360.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea?
The IUPAC name of 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea (CID 58716252) is 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea.
What is the SMILES notation for 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea?
The canonical SMILES for 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea is N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/C#CC#CC#CC#CC#CC#CNC(N)=S.
What is the InChIKey of 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea?
The InChIKey is BYJPUBMUVCNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5N27S/c14-13(41)16-11-9-7-5-3-1-2-4-6-8-10-12-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-15/h(H3,14,16,41)(H2,15,17,20,21,24,25,28,29,32,33,36,37,40).
What are the key properties of 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea?
12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea has a molecular weight of 571.44 g/mol, XLogP of 3.12, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]dodeca-1,3,5,7,9,11-hexaynylthiourea is sourced from PubChem (CID 58716252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).