sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

C12H17N3O3S — CID 135237149

IUPACsulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCC=C)n1.S
InChIInChI=1S/C12H15N3O3.H2S/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;/h4-6H,1-3,7-9H2;1H2
InChIKeyGZPWYKVVDPMACI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.68
Rot. Bonds9

About sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine (PubChem CID 135237149) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Namesulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
PubChem CID135237149
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namesulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCC=C)n1.S
InChIInChI=1S/C12H15N3O3.H2S/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;/h4-6H,1-3,7-9H2;1H2
InChIKeyGZPWYKVVDPMACI-UHFFFAOYSA-N
XLogP1.68
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triallyl cyanurate
CID 7555
s-Triazine, 2-(allyloxy)-4,6-diamino-
CID 22721
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
2-(Allyloxy)-4,6-dichloro-1,3,5-triazine
CID 33571
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
2,4,6-Tris[(2-methyl-2-propen-1-yl)oxy]-1,3,5-triazine
CID 13761104
2,4-Diallyloxy-6-t-butylperoxy-1,3,5-triazine
CID 20029046
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
2,4-Bis(prop-2-enoxy)-6-prop-2-ynoxy-1,3,5-triazine
CID 20188882

Frequently Asked Questions

What is the IUPAC name of sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine (CID 135237149) is sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(OCC=C)n1.S.
What is the InChIKey of sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is GZPWYKVVDPMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.H2S/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;/h4-6H,1-3,7-9H2;1H2.
What are the key properties of sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 283.35 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 135237149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).