4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione

C10H9N3S2 — CID 12571207

IUPAC4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione
SMILESCSc1nc(-c2ccccc2)[nH]c(=S)n1
InChIInChI=1S/C10H9N3S2/c1-15-10-12-8(11-9(14)13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,13,14)
InChIKeyFGLAFVWISSMEEI-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.92
Rot. Bonds2

About 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione

4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione (PubChem CID 12571207) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione
PubChem CID12571207
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione
SMILESCSc1nc(-c2ccccc2)[nH]c(=S)n1
InChIInChI=1S/C10H9N3S2/c1-15-10-12-8(11-9(14)13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,13,14)
InChIKeyFGLAFVWISSMEEI-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione?
The IUPAC name of 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione (CID 12571207) is 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione.
What is the SMILES notation for 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione?
The canonical SMILES for 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione is CSc1nc(-c2ccccc2)[nH]c(=S)n1.
What is the InChIKey of 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione?
The InChIKey is FGLAFVWISSMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-15-10-12-8(11-9(14)13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,13,14).
What are the key properties of 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione?
4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione has a molecular weight of 235.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione is sourced from PubChem (CID 12571207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).