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

C8H8N4S2 — CID 130835298

IUPAC2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione
SMILESCc1cc(-c2nc(=S)nc(N)[nH]2)cs1
InChIInChI=1S/C8H8N4S2/c1-4-2-5(3-14-4)6-10-7(9)12-8(13)11-6/h2-3H,1H3,(H3,9,10,11,12,13)
InChIKeyPUHUILHKEYAUGB-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.15
Rot. Bonds1

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

2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 130835298) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione
PubChem CID130835298
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione
SMILESCc1cc(-c2nc(=S)nc(N)[nH]2)cs1
InChIInChI=1S/C8H8N4S2/c1-4-2-5(3-14-4)6-10-7(9)12-8(13)11-6/h2-3H,1H3,(H3,9,10,11,12,13)
InChIKeyPUHUILHKEYAUGB-UHFFFAOYSA-N
XLogP2.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione (CID 130835298) is 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione is Cc1cc(-c2nc(=S)nc(N)[nH]2)cs1.
What is the InChIKey of 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is PUHUILHKEYAUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c1-4-2-5(3-14-4)6-10-7(9)12-8(13)11-6/h2-3H,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 224.31 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 130835298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).