2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine

C15H25Cl2N3S — CID 3705221

IUPAC2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C15H25Cl2N3S/c1-2-3-4-5-6-7-8-9-10-11-12-21-15-19-13(16)18-14(17)20-15/h2-12H2,1H3
InChIKeyZIVRDIJEVLAWJI-UHFFFAOYSA-N
MW350.36 g/mol
LogP6.19
Rot. Bonds12

About 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine

2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine (PubChem CID 3705221) has the molecular formula C15H25Cl2N3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine
PubChem CID3705221
Molecular FormulaC15H25Cl2N3S
Molecular Weight350.36 g/mol
Exact Mass349.11
IUPAC Name2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C15H25Cl2N3S/c1-2-3-4-5-6-7-8-9-10-11-12-21-15-19-13(16)18-14(17)20-15/h2-12H2,1H3
InChIKeyZIVRDIJEVLAWJI-UHFFFAOYSA-N
XLogP6.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.36
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine (CID 3705221) is 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine is CCCCCCCCCCCCSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine?
The InChIKey is ZIVRDIJEVLAWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N3S/c1-2-3-4-5-6-7-8-9-10-11-12-21-15-19-13(16)18-14(17)20-15/h2-12H2,1H3.
What are the key properties of 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine?
2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine has a molecular weight of 350.36 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-dodecylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 3705221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).