bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C32H26BBrO8S13 — CID 161061682

About bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 161061682) has the molecular formula C32H26BBrO8S13 and a molecular weight of 1046.14 g/mol. Its IUPAC name is bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

• Compound Name: bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• PubChem CID: 161061682
• Molecular Formula: C32H26BBrO8S13
• Molecular Weight: 1046.14 g/mol
• Exact Mass: 1043.73
• IUPAC Name: bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• SMILES: CC1(C)OB(c2ccc3c(c2)C(=O)c2ccccc2S3(=O)=O)OC1(C)C.O=C1c2ccccc2S(=O)(=O)c2ccc(Br)cc21.S=S=S=S=S.S=S=S=S=S=S
• InChI: InChI=1S/C19H19BO5S.C13H7BrO3S.S6.S5/c1-18(2)19(3,4)25-20(24-18)12-9-10-16-14(11-12)17(21)13-7-5-6-8-15(13)26(16,22)23;14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)18(12,16)17;1-3-5-6-4-2;1-3-5-4-2/h5-11H,1-4H3;1-7H
• InChIKey: UDMBOQCHUPOSQX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 120.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 1
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.14
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The IUPAC name of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 161061682) is bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

What is the SMILES notation for bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The canonical SMILES for bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is CC1(C)OB(c2ccc3c(c2)C(=O)c2ccccc2S3(=O)=O)OC1(C)C.O=C1c2ccccc2S(=O)(=O)c2ccc(Br)cc21.S=S=S=S=S.S=S=S=S=S=S.

What is the InChIKey of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The InChIKey is UDMBOQCHUPOSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BO5S.C13H7BrO3S.S6.S5/c1-18(2)19(3,4)25-20(24-18)12-9-10-16-14(11-12)17(21)13-7-5-6-8-15(13)26(16,22)23;14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)18(12,16)17;1-3-5-6-4-2;1-3-5-4-2/h5-11H,1-4H3;1-7H;;.

What are the key properties of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1046.14 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;2-bromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 161061682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).