hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium

C14H16N4O4S — CID 51063117

IUPAChydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium
SMILESCc1cc(/N=N/c2ccccc2C)ccc1N=[NH2+].O=S(=O)([O-])O
InChIInChI=1S/C14H14N4.H2O4S/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4/h3-9,15H,1-2H3;(H2,1,2,3,4)/b16-15?,18-17+;
InChIKeyRMCYHSUNJZUSSI-PQVRIMNQSA-N
MW336.37 g/mol
LogP2.57
Rot. Bonds3

About hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium

hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium (PubChem CID 51063117) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium.

Molecular Properties

Compound Namehydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium
PubChem CID51063117
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Namehydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium
SMILESCc1cc(/N=N/c2ccccc2C)ccc1N=[NH2+].O=S(=O)([O-])O
InChIInChI=1S/C14H14N4.H2O4S/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4/h3-9,15H,1-2H3;(H2,1,2,3,4)/b16-15?,18-17+;
InChIKeyRMCYHSUNJZUSSI-PQVRIMNQSA-N
XLogP2.57
TPSA140.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[(2-methylphenyl)diazenyl]phenol
CID 137240605
(4-diazenyl-3-methylphenyl)-(2-methylphenyl)diazene
CID 4196526
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide
CID 58958294
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
3-[C-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbonimidoyl]chromen-2-one
CID 50741718
4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]naphthalene-1-sulfonate
CID 139208471
CID 170841045
CID 170841045
sodium 7-hydroxy-8-[[2-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 156676683
(3-bromophenyl)-(2-methylphenyl)diazene
CID 563793
8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
CID 158523650
disodium;5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 135570583

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium?
The IUPAC name of hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium (CID 51063117) is hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium.
What is the SMILES notation for hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium?
The canonical SMILES for hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium is Cc1cc(/N=N/c2ccccc2C)ccc1N=[NH2+].O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium?
The InChIKey is RMCYHSUNJZUSSI-PQVRIMNQSA-N. The full InChI is InChI=1S/C14H14N4.H2O4S/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4/h3-9,15H,1-2H3;(H2,1,2,3,4)/b16-15?,18-17+;.
What are the key properties of hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium?
hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium has a molecular weight of 336.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium is sourced from PubChem (CID 51063117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).