6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine

C11H13Cl2N3S — CID 2806728

IUPAC6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine
SMILESCN1CN=C(SCc2ccc(Cl)cc2Cl)NC1
InChIInChI=1S/C11H13Cl2N3S/c1-16-6-14-11(15-7-16)17-5-8-2-3-9(12)4-10(8)13/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyFBJUAHWGLBFCPM-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.03
Rot. Bonds2

About 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine

6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 2806728) has the molecular formula C11H13Cl2N3S and a molecular weight of 290.22 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine
PubChem CID2806728
Molecular FormulaC11H13Cl2N3S
Molecular Weight290.22 g/mol
Exact Mass289.02
IUPAC Name6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine
SMILESCN1CN=C(SCc2ccc(Cl)cc2Cl)NC1
InChIInChI=1S/C11H13Cl2N3S/c1-16-6-14-11(15-7-16)17-5-8-2-3-9(12)4-10(8)13/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyFBJUAHWGLBFCPM-UHFFFAOYSA-N
XLogP3.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine (CID 2806728) is 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine is CN1CN=C(SCc2ccc(Cl)cc2Cl)NC1.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is FBJUAHWGLBFCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3S/c1-16-6-14-11(15-7-16)17-5-8-2-3-9(12)4-10(8)13/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine?
6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 290.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 2806728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).