tert-butylsulfanyl-(4-methoxyphenyl)diazene

C11H16N2OS — CID 14816148

IUPACtert-butylsulfanyl-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/SC(C)(C)C)cc1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)15-13-12-9-5-7-10(14-4)8-6-9/h5-8H,1-4H3/b13-12+
InChIKeyMYSGLZXJFSRVSJ-OUKQBFOZSA-N
MW224.33 g/mol
LogP4.23
Rot. Bonds3

About tert-butylsulfanyl-(4-methoxyphenyl)diazene

tert-butylsulfanyl-(4-methoxyphenyl)diazene (PubChem CID 14816148) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is tert-butylsulfanyl-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Nametert-butylsulfanyl-(4-methoxyphenyl)diazene
PubChem CID14816148
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Nametert-butylsulfanyl-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/SC(C)(C)C)cc1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)15-13-12-9-5-7-10(14-4)8-6-9/h5-8H,1-4H3/b13-12+
InChIKeyMYSGLZXJFSRVSJ-OUKQBFOZSA-N
XLogP4.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(4-methoxyphenyl)-methyldiazene
CID 20589170
2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene
CID 23583552
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
(4-methoxyphenyl)iminocyanamide
CID 12569088
5,17-ditert-butyl-11,23-bis[(4-methoxyphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136693847
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
CID 131854773
CID 131854773
sodium N-(4-methoxyphenyl)iminosulfamate
CID 23675130
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
N-tert-butylsulfanyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 174083682

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanyl-(4-methoxyphenyl)diazene?
The IUPAC name of tert-butylsulfanyl-(4-methoxyphenyl)diazene (CID 14816148) is tert-butylsulfanyl-(4-methoxyphenyl)diazene.
What is the SMILES notation for tert-butylsulfanyl-(4-methoxyphenyl)diazene?
The canonical SMILES for tert-butylsulfanyl-(4-methoxyphenyl)diazene is COc1ccc(/N=N/SC(C)(C)C)cc1.
What is the InChIKey of tert-butylsulfanyl-(4-methoxyphenyl)diazene?
The InChIKey is MYSGLZXJFSRVSJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2,3)15-13-12-9-5-7-10(14-4)8-6-9/h5-8H,1-4H3/b13-12+.
What are the key properties of tert-butylsulfanyl-(4-methoxyphenyl)diazene?
tert-butylsulfanyl-(4-methoxyphenyl)diazene has a molecular weight of 224.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanyl-(4-methoxyphenyl)diazene is sourced from PubChem (CID 14816148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).