tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene

C14H30N4S — CID 21429724

IUPACtert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene
SMILESCC(C)(C)/N=N/C(C)(C)SC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C14H30N4S/c1-11(2,3)15-17-13(7,8)19-14(9,10)18-16-12(4,5)6/h1-10H3/b17-15+,18-16+
InChIKeyYVUIUARIEGKLRE-YTEMWHBBSA-N
MW286.49 g/mol
LogP5.69
Rot. Bonds4

About tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene

tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene (PubChem CID 21429724) has the molecular formula C14H30N4S and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene.

Molecular Properties

Compound Nametert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene
PubChem CID21429724
Molecular FormulaC14H30N4S
Molecular Weight286.49 g/mol
Exact Mass286.22
IUPAC Nametert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene
SMILESCC(C)(C)/N=N/C(C)(C)SC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C14H30N4S/c1-11(2,3)15-17-13(7,8)19-14(9,10)18-16-12(4,5)6/h1-10H3/b17-15+,18-16+
InChIKeyYVUIUARIEGKLRE-YTEMWHBBSA-N
XLogP5.69
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene?
The IUPAC name of tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene (CID 21429724) is tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene.
What is the SMILES notation for tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene?
The canonical SMILES for tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene is CC(C)(C)/N=N/C(C)(C)SC(C)(C)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene?
The InChIKey is YVUIUARIEGKLRE-YTEMWHBBSA-N. The full InChI is InChI=1S/C14H30N4S/c1-11(2,3)15-17-13(7,8)19-14(9,10)18-16-12(4,5)6/h1-10H3/b17-15+,18-16+.
What are the key properties of tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene?
tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene has a molecular weight of 286.49 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene is sourced from PubChem (CID 21429724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).