2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol

C19H18N2O4S — CID 135854865

IUPAC2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol
SMILESCc1cc(C)c(SOOO)cc1/N=N/c1cc(C)c2ccccc2c1O
InChIInChI=1S/C19H18N2O4S/c1-11-9-17(19(22)15-7-5-4-6-14(11)15)21-20-16-10-18(26-25-24-23)13(3)8-12(16)2/h4-10,22-23H,1-3H3/b21-20+
InChIKeySLXLABQBOJGZMH-QZQOTICOSA-N
MW370.43 g/mol
LogP6.31
Rot. Bonds5

About 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol

2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol (PubChem CID 135854865) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol.

Molecular Properties

Compound Name2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol
PubChem CID135854865
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol
SMILESCc1cc(C)c(SOOO)cc1/N=N/c1cc(C)c2ccccc2c1O
InChIInChI=1S/C19H18N2O4S/c1-11-9-17(19(22)15-7-5-4-6-14(11)15)21-20-16-10-18(26-25-24-23)13(3)8-12(16)2/h4-10,22-23H,1-3H3/b21-20+
InChIKeySLXLABQBOJGZMH-QZQOTICOSA-N
XLogP6.31
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(trioxidanylsulfanyl)naphthalene
CID 20704922
2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 21343265
N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide
CID 135978892
4-[(4-methylphenyl)diazenyl]-6-(trioxidanylsulfanyl)benzene-1,3-diamine
CID 58981460
2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
CID 136752195
3-[[4-[[2-(carbamoylamino)-4-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-(trioxidanylsulfanyl)benzenesulfonic acid
CID 23546625
ethane;2-[[4-(methyldiazenyl)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;naphthalene;propane
CID 162161563
ethane;2-[[4-(methyldiazenyl)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;naphthalene;propane
CID 137046301
3-iodo-1-[3-methyl-4-(trioxidanylsulfanyl)phenyl]propan-1-one
CID 20654920
2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 135727414
ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
CID 144779161
4-methyl-3-[[4-methyl-7-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 58914091

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol?
The IUPAC name of 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol (CID 135854865) is 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol.
What is the SMILES notation for 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol?
The canonical SMILES for 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol is Cc1cc(C)c(SOOO)cc1/N=N/c1cc(C)c2ccccc2c1O.
What is the InChIKey of 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol?
The InChIKey is SLXLABQBOJGZMH-QZQOTICOSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11-9-17(19(22)15-7-5-4-6-14(11)15)21-20-16-10-18(26-25-24-23)13(3)8-12(16)2/h4-10,22-23H,1-3H3/b21-20+.
What are the key properties of 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol?
2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol has a molecular weight of 370.43 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl]diazenyl]-4-methylnaphthalen-1-ol is sourced from PubChem (CID 135854865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).