2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine

C15H27N3S3 — CID 134914120

IUPAC2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine
SMILESCCSCCc1nc(CCSCC)nc(CCSCC)n1
InChIInChI=1S/C15H27N3S3/c1-4-19-10-7-13-16-14(8-11-20-5-2)18-15(17-13)9-12-21-6-3/h4-12H2,1-3H3
InChIKeyIJHICQNGVKCOEQ-UHFFFAOYSA-N
MW345.60 g/mol
LogP3.76
Rot. Bonds12

About 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine

2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine (PubChem CID 134914120) has the molecular formula C15H27N3S3 and a molecular weight of 345.60 g/mol. Its IUPAC name is 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine
PubChem CID134914120
Molecular FormulaC15H27N3S3
Molecular Weight345.60 g/mol
Exact Mass345.14
IUPAC Name2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine
SMILESCCSCCc1nc(CCSCC)nc(CCSCC)n1
InChIInChI=1S/C15H27N3S3/c1-4-19-10-7-13-16-14(8-11-20-5-2)18-15(17-13)9-12-21-6-3/h4-12H2,1-3H3
InChIKeyIJHICQNGVKCOEQ-UHFFFAOYSA-N
XLogP3.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine (CID 134914120) is 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine is CCSCCc1nc(CCSCC)nc(CCSCC)n1.
What is the InChIKey of 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine?
The InChIKey is IJHICQNGVKCOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S3/c1-4-19-10-7-13-16-14(8-11-20-5-2)18-15(17-13)9-12-21-6-3/h4-12H2,1-3H3.
What are the key properties of 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine?
2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine has a molecular weight of 345.60 g/mol, XLogP of 3.76, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-ethylsulfanylethyl)-1,3,5-triazine is sourced from PubChem (CID 134914120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).