4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

C11H11ClN4S2 — CID 15856427

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4S2/c1-17-10-14-9(13)15-11(16-10)18-6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyHTIZIZPBDXREDJ-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.12
Rot. Bonds4

About 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 15856427) has the molecular formula C11H11ClN4S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID15856427
Molecular FormulaC11H11ClN4S2
Molecular Weight298.82 g/mol
Exact Mass298.01
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4S2/c1-17-10-14-9(13)15-11(16-10)18-6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyHTIZIZPBDXREDJ-UHFFFAOYSA-N
XLogP3.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 15856427) is 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is HTIZIZPBDXREDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S2/c1-17-10-14-9(13)15-11(16-10)18-6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 298.82 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 15856427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).