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

C18H27N3O3S3 — CID 90074173

IUPAC2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine
SMILESC=COCCCSc1nc(SCCCOC=C)nc(SCCCOC=C)n1
InChIInChI=1S/C18H27N3O3S3/c1-4-22-10-7-13-25-16-19-17(26-14-8-11-23-5-2)21-18(20-16)27-15-9-12-24-6-3/h4-6H,1-3,7-15H2
InChIKeyZKWGMIPKYDYWAJ-UHFFFAOYSA-N
MW429.63 g/mol
LogP4.80
Rot. Bonds18

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

2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine (PubChem CID 90074173) has the molecular formula C18H27N3O3S3 and a molecular weight of 429.63 g/mol. Its IUPAC name is 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine
PubChem CID90074173
Molecular FormulaC18H27N3O3S3
Molecular Weight429.63 g/mol
Exact Mass429.12
IUPAC Name2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine
SMILESC=COCCCSc1nc(SCCCOC=C)nc(SCCCOC=C)n1
InChIInChI=1S/C18H27N3O3S3/c1-4-22-10-7-13-25-16-19-17(26-14-8-11-23-5-2)21-18(20-16)27-15-9-12-24-6-3/h4-6H,1-3,7-15H2
InChIKeyZKWGMIPKYDYWAJ-UHFFFAOYSA-N
XLogP4.80
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,16-bis(ethenoxy)hexadecane
CID 19877850
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxy-3-methoxypropane
CID 22058891
1-ethenoxy-4-methylpentane
CID 22665202
2,6-bis(5-ethenoxypentoxy)pyridine
CID 90074129
4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80889976
5-bromo-2-(3-methoxypropylsulfanyl)pyrimidine
CID 63867246
1-ethenoxybutane;hydrate
CID 174447139
2-hept-6-enylsulfanylpyrimidine-4,6-diamine
CID 107007383
1-bromo-6-ethenoxyhexane
CID 58795171
14-ethenoxytetradecan-1-ol
CID 139931182

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine (CID 90074173) is 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine is C=COCCCSc1nc(SCCCOC=C)nc(SCCCOC=C)n1.
What is the InChIKey of 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine?
The InChIKey is ZKWGMIPKYDYWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S3/c1-4-22-10-7-13-25-16-19-17(26-14-8-11-23-5-2)21-18(20-16)27-15-9-12-24-6-3/h4-6H,1-3,7-15H2.
What are the key properties of 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine?
2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine has a molecular weight of 429.63 g/mol, XLogP of 4.80, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3-ethenoxypropylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 90074173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).