3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide

C9H14O6S2 — CID 90187374

IUPAC3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide
SMILESO=S1(=O)OC=COS(=O)(=O)C1C1CCCCC1
InChIInChI=1S/C9H14O6S2/c10-16(11)9(8-4-2-1-3-5-8)17(12,13)15-7-6-14-16/h6-9H,1-5H2
InChIKeyTUUVZMJKPDISSK-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.07
Rot. Bonds1

About 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide

3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide (PubChem CID 90187374) has the molecular formula C9H14O6S2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide
PubChem CID90187374
Molecular FormulaC9H14O6S2
Molecular Weight282.34 g/mol
Exact Mass282.02
IUPAC Name3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide
SMILESO=S1(=O)OC=COS(=O)(=O)C1C1CCCCC1
InChIInChI=1S/C9H14O6S2/c10-16(11)9(8-4-2-1-3-5-8)17(12,13)15-7-6-14-16/h6-9H,1-5H2
InChIKeyTUUVZMJKPDISSK-UHFFFAOYSA-N
XLogP1.07
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide?
The IUPAC name of 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide (CID 90187374) is 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide.
What is the SMILES notation for 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide?
The canonical SMILES for 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide is O=S1(=O)OC=COS(=O)(=O)C1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide?
The InChIKey is TUUVZMJKPDISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6S2/c10-16(11)9(8-4-2-1-3-5-8)17(12,13)15-7-6-14-16/h6-9H,1-5H2.
What are the key properties of 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide?
3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide has a molecular weight of 282.34 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,5,2,4-dioxadithiepine 2,2,4,4-tetraoxide is sourced from PubChem (CID 90187374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).