(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene

C16H18N2OS — CID 21342477

IUPAC(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene
SMILESCOc1ccccc1/N=N/c1cc(C)cc(C)c1SC
InChIInChI=1S/C16H18N2OS/c1-11-9-12(2)16(20-4)14(10-11)18-17-13-7-5-6-8-15(13)19-3/h5-10H,1-4H3/b18-17+
InChIKeyQKAAFJMLUVRAGD-ISLYRVAYSA-N
MW286.40 g/mol
LogP5.45
Rot. Bonds4

About (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene

(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene (PubChem CID 21342477) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene.

Molecular Properties

Compound Name(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene
PubChem CID21342477
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene
SMILESCOc1ccccc1/N=N/c1cc(C)cc(C)c1SC
InChIInChI=1S/C16H18N2OS/c1-11-9-12(2)16(20-4)14(10-11)18-17-13-7-5-6-8-15(13)19-3/h5-10H,1-4H3/b18-17+
InChIKeyQKAAFJMLUVRAGD-ISLYRVAYSA-N
XLogP5.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.40
LogP ≤ 55.45
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'}

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Related Compounds

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CID 11947
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CID 136634815
1-methoxy-2-(sulfinylamino)benzene
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4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
[dimethyl(phenyl)silyl]-(2-methoxy-3,5-dimethylphenyl)diazene
CID 21343001
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 22137
(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene?
The IUPAC name of (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene (CID 21342477) is (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene.
What is the SMILES notation for (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene?
The canonical SMILES for (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene is COc1ccccc1/N=N/c1cc(C)cc(C)c1SC.
What is the InChIKey of (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene?
The InChIKey is QKAAFJMLUVRAGD-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-9-12(2)16(20-4)14(10-11)18-17-13-7-5-6-8-15(13)19-3/h5-10H,1-4H3/b18-17+.
What are the key properties of (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene?
(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene has a molecular weight of 286.40 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene is sourced from PubChem (CID 21342477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).