1-ethenylsulfonylethene;triazine

C7H9N3O2S — CID 67533139

IUPAC1-ethenylsulfonylethene;triazine
SMILESC=CS(=O)(=O)C=C.c1cnnnc1
InChIInChI=1S/C4H6O2S.C3H3N3/c1-3-7(5,6)4-2;1-2-4-6-5-3-1/h3-4H,1-2H2;1-3H
InChIKeyXULFCTLQSSIMOF-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.56
Rot. Bonds2

About 1-ethenylsulfonylethene;triazine

1-ethenylsulfonylethene;triazine (PubChem CID 67533139) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-ethenylsulfonylethene;triazine.

Molecular Properties

Compound Name1-ethenylsulfonylethene;triazine
PubChem CID67533139
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name1-ethenylsulfonylethene;triazine
SMILESC=CS(=O)(=O)C=C.c1cnnnc1
InChIInChI=1S/C4H6O2S.C3H3N3/c1-3-7(5,6)4-2;1-2-4-6-5-3-1/h3-4H,1-2H2;1-3H
InChIKeyXULFCTLQSSIMOF-UHFFFAOYSA-N
XLogP0.56
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylethene;triazine?
The IUPAC name of 1-ethenylsulfonylethene;triazine (CID 67533139) is 1-ethenylsulfonylethene;triazine.
What is the SMILES notation for 1-ethenylsulfonylethene;triazine?
The canonical SMILES for 1-ethenylsulfonylethene;triazine is C=CS(=O)(=O)C=C.c1cnnnc1.
What is the InChIKey of 1-ethenylsulfonylethene;triazine?
The InChIKey is XULFCTLQSSIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S.C3H3N3/c1-3-7(5,6)4-2;1-2-4-6-5-3-1/h3-4H,1-2H2;1-3H.
What are the key properties of 1-ethenylsulfonylethene;triazine?
1-ethenylsulfonylethene;triazine has a molecular weight of 199.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylethene;triazine is sourced from PubChem (CID 67533139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).