(4-bromophenyl)-tert-butylsulfanyldiazene

C10H13BrN2S — CID 11334787

IUPAC(4-bromophenyl)-tert-butylsulfanyldiazene
SMILESCC(C)(C)S/N=N/c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2S/c1-10(2,3)14-13-12-9-6-4-8(11)5-7-9/h4-7H,1-3H3/b13-12+
InChIKeyJDTCKHXPXVOXNJ-OUKQBFOZSA-N
MW273.20 g/mol
LogP4.98
Rot. Bonds2

About (4-bromophenyl)-tert-butylsulfanyldiazene

(4-bromophenyl)-tert-butylsulfanyldiazene (PubChem CID 11334787) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is (4-bromophenyl)-tert-butylsulfanyldiazene.

Molecular Properties

Compound Name(4-bromophenyl)-tert-butylsulfanyldiazene
PubChem CID11334787
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name(4-bromophenyl)-tert-butylsulfanyldiazene
SMILESCC(C)(C)S/N=N/c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2S/c1-10(2,3)14-13-12-9-6-4-8(11)5-7-9/h4-7H,1-3H3/b13-12+
InChIKeyJDTCKHXPXVOXNJ-OUKQBFOZSA-N
XLogP4.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.98
H-Bond Donors ≤ 50
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-tert-butylsulfanyldiazene?
The IUPAC name of (4-bromophenyl)-tert-butylsulfanyldiazene (CID 11334787) is (4-bromophenyl)-tert-butylsulfanyldiazene.
What is the SMILES notation for (4-bromophenyl)-tert-butylsulfanyldiazene?
The canonical SMILES for (4-bromophenyl)-tert-butylsulfanyldiazene is CC(C)(C)S/N=N/c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-tert-butylsulfanyldiazene?
The InChIKey is JDTCKHXPXVOXNJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H13BrN2S/c1-10(2,3)14-13-12-9-6-4-8(11)5-7-9/h4-7H,1-3H3/b13-12+.
What are the key properties of (4-bromophenyl)-tert-butylsulfanyldiazene?
(4-bromophenyl)-tert-butylsulfanyldiazene has a molecular weight of 273.20 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-tert-butylsulfanyldiazene is sourced from PubChem (CID 11334787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).