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

C9H6Cl2N4S — CID 71395734

IUPAC2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(-c2cc(Cl)ccc2Cl)[nH]1
InChIInChI=1S/C9H6Cl2N4S/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16)
InChIKeySCEMUDNFWGBJBM-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.09
Rot. Bonds1

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

2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione (PubChem CID 71395734) has the molecular formula C9H6Cl2N4S and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione
PubChem CID71395734
Molecular FormulaC9H6Cl2N4S
Molecular Weight273.15 g/mol
Exact Mass271.97
IUPAC Name2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(-c2cc(Cl)ccc2Cl)[nH]1
InChIInChI=1S/C9H6Cl2N4S/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16)
InChIKeySCEMUDNFWGBJBM-UHFFFAOYSA-N
XLogP3.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione (CID 71395734) is 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(-c2cc(Cl)ccc2Cl)[nH]1.
What is the InChIKey of 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is SCEMUDNFWGBJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4S/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16).
What are the key properties of 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 273.15 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 71395734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).