N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide

C8H10N2OS — CID 20763498

IUPACN-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
SMILESCSc1cccc(/N=C/NO)c1
InChIInChI=1S/C8H10N2OS/c1-12-8-4-2-3-7(5-8)9-6-10-11/h2-6,11H,1H3,(H,9,10)
InChIKeyVDTINZXQMIOBFV-UHFFFAOYSA-N
MW182.25 g/mol
LogP2.05
Rot. Bonds3

About N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide

N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide (PubChem CID 20763498) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
PubChem CID20763498
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
SMILESCSc1cccc(/N=C/NO)c1
InChIInChI=1S/C8H10N2OS/c1-12-8-4-2-3-7(5-8)9-6-10-11/h2-6,11H,1H3,(H,9,10)
InChIKeyVDTINZXQMIOBFV-UHFFFAOYSA-N
XLogP2.05
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide 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

N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide
CID 20763508
1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
CID 6342932
(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane
CID 162414675
1-hydroxysulfanyl-3-methylsulfanylbenzene
CID 142318506
(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide
CID 10443095
bis(3-methylsulfanylphenol);zirconium
CID 174409712
2,3-dimethyl-1-(3-methylsulfanylanilino)butan-2-ol
CID 114492485
N-[(E)-3-chloro-2-methylprop-2-enyl]-3-methylsulfanylaniline
CID 106437281
1-bromo-3-methylsulfanylbenzene
CID 2735627
1-(2-bromoethyl)-1-methyl-2-(3-methylsulfanylphenyl)guanidine
CID 174366309
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108520093

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide (CID 20763498) is N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide is CSc1cccc(/N=C/NO)c1.
What is the InChIKey of N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide?
The InChIKey is VDTINZXQMIOBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-8-4-2-3-7(5-8)9-6-10-11/h2-6,11H,1H3,(H,9,10).
What are the key properties of N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide?
N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide has a molecular weight of 182.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide is sourced from PubChem (CID 20763498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).