4-amino-2-(anilinodiazenyl)benzenethiol

C12H12N4S — CID 175012022

IUPAC4-amino-2-(anilinodiazenyl)benzenethiol
SMILESNc1ccc(S)c(/N=N/Nc2ccccc2)c1
InChIInChI=1S/C12H12N4S/c13-9-6-7-12(17)11(8-9)15-16-14-10-4-2-1-3-5-10/h1-8,17H,13H2,(H,14,15)
InChIKeyKZMDRAWSSJIVCA-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.67
Rot. Bonds3

About 4-amino-2-(anilinodiazenyl)benzenethiol

4-amino-2-(anilinodiazenyl)benzenethiol (PubChem CID 175012022) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-2-(anilinodiazenyl)benzenethiol.

Molecular Properties

Compound Name4-amino-2-(anilinodiazenyl)benzenethiol
PubChem CID175012022
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name4-amino-2-(anilinodiazenyl)benzenethiol
SMILESNc1ccc(S)c(/N=N/Nc2ccccc2)c1
InChIInChI=1S/C12H12N4S/c13-9-6-7-12(17)11(8-9)15-16-14-10-4-2-1-3-5-10/h1-8,17H,13H2,(H,14,15)
InChIKeyKZMDRAWSSJIVCA-UHFFFAOYSA-N
XLogP3.67
TPSA62.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(anilinodiazenyl)benzenethiol
CID 137182856
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001
N-[(2-chlorophenyl)diazenyl]aniline
CID 102051457
N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline
CID 91869160
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
N-[(2,3-diethylphenyl)diazenyl]aniline
CID 70579613
2-(anilinodiazenyl)-5-methoxybenzonitrile
CID 50924953
N-(cyclopropyldiazenyl)aniline
CID 14447314
3-N-phenyl-1H-indazole-3,5-diamine
CID 89172388
bis(4-aminobenzenethiol);benzene
CID 159139687
N-(benzyldiazenyl)-4-chloroaniline
CID 131860795
N-phenylnitrous amide;hydrochloride
CID 141208995

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(anilinodiazenyl)benzenethiol?
The IUPAC name of 4-amino-2-(anilinodiazenyl)benzenethiol (CID 175012022) is 4-amino-2-(anilinodiazenyl)benzenethiol.
What is the SMILES notation for 4-amino-2-(anilinodiazenyl)benzenethiol?
The canonical SMILES for 4-amino-2-(anilinodiazenyl)benzenethiol is Nc1ccc(S)c(/N=N/Nc2ccccc2)c1.
What is the InChIKey of 4-amino-2-(anilinodiazenyl)benzenethiol?
The InChIKey is KZMDRAWSSJIVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-9-6-7-12(17)11(8-9)15-16-14-10-4-2-1-3-5-10/h1-8,17H,13H2,(H,14,15).
What are the key properties of 4-amino-2-(anilinodiazenyl)benzenethiol?
4-amino-2-(anilinodiazenyl)benzenethiol has a molecular weight of 244.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(anilinodiazenyl)benzenethiol is sourced from PubChem (CID 175012022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).