1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol

C18H16N2S — CID 137143767

IUPAC1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
SMILESCc1ccc(/N=N/c2c(S)ccc3ccccc23)c(C)c1
InChIInChI=1S/C18H16N2S/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+
InChIKeyHIDIPNKQRQZEKM-FMQUCBEESA-N
MW292.41 g/mol
LogP6.16
Rot. Bonds2

About 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol

1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol (PubChem CID 137143767) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
PubChem CID137143767
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
SMILESCc1ccc(/N=N/c2c(S)ccc3ccccc23)c(C)c1
InChIInChI=1S/C18H16N2S/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+
InChIKeyHIDIPNKQRQZEKM-FMQUCBEESA-N
XLogP6.16
TPSA24.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 56.16
H-Bond Donors ≤ 51
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2'-Dithiodi(1-naphthylamine)
CID 317663
3-[(3-Amino-2-naphthyl)disulfanyl]naphthalen-2-amine
CID 462941
3-Amino-2-naphthalenethiol
CID 13235165
Thio-p-tolyl-p-Naphthylamin
CID 129646104
Triazathiapentacene
CID 129817778
Triazathiapentaphene
CID 129818204
1-(2-Aminonaphthalen-1-yl)naphthalene-2-thiol
CID 102066261
1-[2-(Dimethylamino)naphthalen-1-yl]naphthalene-2-thiol
CID 102066262
8-Amino-5-[(2,4-dimethyl-6-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 15404373
(2-Methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
CID 20649655
(6,8-Dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene
CID 20681158
(1-Methylnaphthalen-2-yl)-(4-methylphenyl)diazene
CID 20764516

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol?
The IUPAC name of 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol (CID 137143767) is 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol?
The canonical SMILES for 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol is Cc1ccc(/N=N/c2c(S)ccc3ccccc23)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol?
The InChIKey is HIDIPNKQRQZEKM-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2S/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+.
What are the key properties of 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol?
1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol has a molecular weight of 292.41 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol is sourced from PubChem (CID 137143767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).