4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol

C13H12N2S2 — CID 136745893

IUPAC4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol
SMILESCc1ccc(/N=N/c2ccc(S)c(S)c2)cc1
InChIInChI=1S/C13H12N2S2/c1-9-2-4-10(5-3-9)14-15-11-6-7-12(16)13(17)8-11/h2-8,16-17H,1H3/b15-14+
InChIKeyHWTIDZZCRWLTCL-CCEZHUSRSA-N
MW260.39 g/mol
LogP4.99
Rot. Bonds2

About 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol

4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol (PubChem CID 136745893) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol.

Molecular Properties

Compound Name4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol
PubChem CID136745893
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol
SMILESCc1ccc(/N=N/c2ccc(S)c(S)c2)cc1
InChIInChI=1S/C13H12N2S2/c1-9-2-4-10(5-3-9)14-15-11-6-7-12(16)13(17)8-11/h2-8,16-17H,1H3/b15-14+
InChIKeyHWTIDZZCRWLTCL-CCEZHUSRSA-N
XLogP4.99
TPSA24.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.99
H-Bond Donors ≤ 52
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylphenyl)diazene
CID 10389
benzene;4-methylbenzene-1,2-dithiol
CID 174679566
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
CID 159049808
2-(hydroxymethyl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136794284
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
12-[4-[(4-methylphenyl)diazenyl]phenoxy]dodecane-1-thiol
CID 101369217
(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium
CID 59137960
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
2-hydroxy-5-[(4-methylphenyl)diazenyl]-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
CID 135577968
(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene
CID 22946830

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol?
The IUPAC name of 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol (CID 136745893) is 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol.
What is the SMILES notation for 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol?
The canonical SMILES for 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol is Cc1ccc(/N=N/c2ccc(S)c(S)c2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol?
The InChIKey is HWTIDZZCRWLTCL-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-9-2-4-10(5-3-9)14-15-11-6-7-12(16)13(17)8-11/h2-8,16-17H,1H3/b15-14+.
What are the key properties of 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol?
4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol has a molecular weight of 260.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol is sourced from PubChem (CID 136745893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).