N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine

C9H6Cl2N4S — CID 87968957

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine
SMILESSN(c1ccccc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H6Cl2N4S/c10-7-12-8(11)14-9(13-7)15(16)6-4-2-1-3-5-6/h1-5,16H
InChIKeyOBAQGLNTWVNJIY-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.16
Rot. Bonds2

About N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine (PubChem CID 87968957) has the molecular formula C9H6Cl2N4S and a molecular weight of 273.15 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine
PubChem CID87968957
Molecular FormulaC9H6Cl2N4S
Molecular Weight273.15 g/mol
Exact Mass271.97
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine
SMILESSN(c1ccccc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H6Cl2N4S/c10-7-12-8(11)14-9(13-7)15(16)6-4-2-1-3-5-6/h1-5,16H
InChIKeyOBAQGLNTWVNJIY-UHFFFAOYSA-N
XLogP3.16
TPSA41.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine (CID 87968957) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine is SN(c1ccccc1)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine?
The InChIKey is OBAQGLNTWVNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4S/c10-7-12-8(11)14-9(13-7)15(16)6-4-2-1-3-5-6/h1-5,16H.
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine?
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine has a molecular weight of 273.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-phenylthiohydroxylamine is sourced from PubChem (CID 87968957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).