4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide

C47H82F2O39S18 — CID 163497777

About 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide

4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide (PubChem CID 163497777) has the molecular formula C47H82F2O39S18 and a molecular weight of 1886.34 g/mol. Its IUPAC name is 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide.

Molecular Properties

• Compound Name: 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide
• PubChem CID: 163497777
• Molecular Formula: C47H82F2O39S18
• Molecular Weight: 1886.34 g/mol
• Exact Mass: 1883.94
• IUPAC Name: 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide
• SMILES: C=CC1CS(=C)(=O)OS(=O)(=O)C1.C=S1(=O)CC(C)S(=O)(=O)O1.C=S1(=O)CC(CC)C(F)S(=O)(=O)O1.C=S1(=O)CCC(F)S(=O)(=O)O1.C=S1(=O)CCC(OCC)S(=O)(=O)O1.C=S1(=O)CCCCS(=O)(=O)O1.C=S1(=O)CCCS(=O)(=O)O1.C=S1(=O)CCS(=O)(=O)O1.O=S1(=O)CC(Oc2ccccc2)CS(=O)(=O)O1
• InChI: InChI=1S/C9H10O6S2.C6H11FO4S2.C6H12O5S2.C6H10O4S2.C5H10O4S2.C4H7FO4S2.2C4H8O4S2.C3H6O4S2/c10-16(11)6-9(7-17(12,13)15-16)14-8-4-2-1-3-5-8;1-3-5-4-12(2,8)11-13(9,10)6(5)7;1-3-10-6-4-5-12(2,7)11-13(6,8)9;1-3-6-4-11(2,7)10-12(8,9)5-6;1-10(6)4-2-3-5-11(7,8)9-10;1-10(6)3-2-4(5)11(7,8)9-10;1-4-3-9(2,5)8-10(4,6)7;1-9(5)3-2-4-10(6,7)8-9;1-8(4)2-3-9(5,6)7-8/h1-5,9H,6-7H2;5-6H,2-4H2,1H3;6H,2-5H2,1H3;3,6H,1-2,4-5H2;1-5H2;4H,1-3H2;4H,2-3H2,1H3;1-4H2;1-3H2
• InChIKey: CSEHJGWWJSRTQH-UHFFFAOYSA-N
• XLogP: -2.93
• TPSA: 579.49 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 6
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1886.34
LogP ≤ 5	-2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide?

The IUPAC name of 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide (CID 163497777) is 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide.

What is the SMILES notation for 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide?

The canonical SMILES for 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide is C=CC1CS(=C)(=O)OS(=O)(=O)C1.C=S1(=O)CC(C)S(=O)(=O)O1.C=S1(=O)CC(CC)C(F)S(=O)(=O)O1.C=S1(=O)CCC(F)S(=O)(=O)O1.C=S1(=O)CCC(OCC)S(=O)(=O)O1.C=S1(=O)CCCCS(=O)(=O)O1.C=S1(=O)CCCS(=O)(=O)O1.C=S1(=O)CCS(=O)(=O)O1.O=S1(=O)CC(Oc2ccccc2)CS(=O)(=O)O1.

What is the InChIKey of 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide?

The InChIKey is CSEHJGWWJSRTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6S2.C6H11FO4S2.C6H12O5S2.C6H10O4S2.C5H10O4S2.C4H7FO4S2.2C4H8O4S2.C3H6O4S2/c10-16(11)6-9(7-17(12,13)15-16)14-8-4-2-1-3-5-8;1-3-5-4-12(2,8)11-13(9,10)6(5)7;1-3-10-6-4-5-12(2,7)11-13(6,8)9;1-3-6-4-11(2,7)10-12(8,9)5-6;1-10(6)4-2-3-5-11(7,8)9-10;1-10(6)3-2-4(5)11(7,8)9-10;1-4-3-9(2,5)8-10(4,6)7;1-9(5)3-2-4-10(6,7)8-9;1-8(4)2-3-9(5,6)7-8/h1-5,9H,6-7H2;5-6H,2-4H2,1H3;6H,2-5H2,1H3;3,6H,1-2,4-5H2;1-5H2;4H,1-3H2;4H,2-3H2,1H3;1-4H2;1-3H2.

What are the key properties of 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide?

4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide has a molecular weight of 1886.34 g/mol, XLogP of -2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenyl-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-ethoxy-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;4-ethyl-3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;3-fluoro-6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;6-methylidene-1,2,6-oxadithiane 2,2,6-trioxide;7-methylidene-1,2,7-oxadithiepane 2,2,7-trioxide;5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;3-methyl-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide;4-phenoxy-1,2,6-oxadithiane 2,2,6,6-tetraoxide is sourced from PubChem (CID 163497777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).