2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione

C10H7Cl2N3OS — CID 106514087

IUPAC2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
SMILESCOc1nc(=S)nc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C10H7Cl2N3OS/c1-16-9-13-8(14-10(17)15-9)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H,13,14,15,17)
InChIKeyWVWONVYOKVJMEN-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.52
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione

2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione (PubChem CID 106514087) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
PubChem CID106514087
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
SMILESCOc1nc(=S)nc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C10H7Cl2N3OS/c1-16-9-13-8(14-10(17)15-9)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H,13,14,15,17)
InChIKeyWVWONVYOKVJMEN-UHFFFAOYSA-N
XLogP3.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione 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-(2,3-dimethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521207
2-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106522429
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
2-(3-chloro-4-fluorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521080
2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106518179
2-(4-tert-butylphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106516642
4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 73332044
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(2,3-dichlorophenyl)-6-methoxypyrazine
CID 160525380
6-(2,3-dichlorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514071
2-(2,3-dichlorophenyl)-4-methoxy-6-methylpyridine
CID 118813607

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione (CID 106514087) is 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione is COc1nc(=S)nc(-c2cccc(Cl)c2Cl)[nH]1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione?
The InChIKey is WVWONVYOKVJMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c1-16-9-13-8(14-10(17)15-9)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H,13,14,15,17).
What are the key properties of 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione?
2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione has a molecular weight of 288.16 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 106514087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).