2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol

C13H14N2OS — CID 71016289

IUPAC2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol
SMILESCOc1ccc(-c2ccc(NN)c(S)c2)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-5-2-9(3-6-11)10-4-7-12(15-14)13(17)8-10/h2-8,15,17H,14H2,1H3
InChIKeyJWQVNVWYONVSMH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.94
Rot. Bonds3

About 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol

2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol (PubChem CID 71016289) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol.

Molecular Properties

Compound Name2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol
PubChem CID71016289
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol
SMILESCOc1ccc(-c2ccc(NN)c(S)c2)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-5-2-9(3-6-11)10-4-7-12(15-14)13(17)8-10/h2-8,15,17H,14H2,1H3
InChIKeyJWQVNVWYONVSMH-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydrazinyl-4-(4-methoxyphenyl)benzenethiol
CID 71016292
2-hydrazinyl-5-methoxyaniline
CID 119013430
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143
(4-methoxy-2-methylsulfanylphenyl)hydrazine
CID 130935664
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
CID 90720567
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2-bromo-4-(4-methoxyphenyl)aniline
CID 115051245

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol?
The IUPAC name of 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol (CID 71016289) is 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol.
What is the SMILES notation for 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol?
The canonical SMILES for 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol is COc1ccc(-c2ccc(NN)c(S)c2)cc1.
What is the InChIKey of 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol?
The InChIKey is JWQVNVWYONVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-5-2-9(3-6-11)10-4-7-12(15-14)13(17)8-10/h2-8,15,17H,14H2,1H3.
What are the key properties of 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol?
2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol has a molecular weight of 246.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-(4-methoxyphenyl)benzenethiol is sourced from PubChem (CID 71016289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).