dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium

C130H94O9S9+6 — CID 159408521

IUPACdimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium
SMILESC[S+](C)c1ccc2oc3ccccc3c(=O)c2c1.C[S+](C)c1ccc2sc3ccccc3c(=O)c2c1.O=c1c2ccccc2oc2c([S+](c3ccccc3)c3ccccc3)cccc12.O=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12.O=c1c2ccccc2sc2c([S+](c3ccccc3)c3ccccc3)cccc12.O=c1c2ccccc2sc2ccc([S+](c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/2C25H17O2S.2C25H17OS2.C15H13O2S.C15H13OS2/c26-24-20-14-7-8-16-22(20)27-25-21(24)15-9-17-23(25)28(18-10-3-1-4-11-18)19-12-5-2-6-13-19;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;26-24-20-14-7-8-16-22(20)27-25-21(24)15-9-17-23(25)28(18-10-3-1-4-11-18)19-12-5-2-6-13-19;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*1-18(2)10-7-8-14-12(9-10)15(16)11-5-3-4-6-13(11)17-14/h4*1-17H;2*3-9H,1-2H3/q6*+1
InChIKeyLOGVGYDXMMXWDN-UHFFFAOYSA-N
MW2088.78 g/mol
LogP31.94
Rot. Bonds14

About dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium

dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium (PubChem CID 159408521) has the molecular formula C130H94O9S9+6 and a molecular weight of 2088.78 g/mol. Its IUPAC name is dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium.

Molecular Properties

Compound Namedimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium
PubChem CID159408521
Molecular FormulaC130H94O9S9+6
Molecular Weight2088.78 g/mol
Exact Mass2086.44
IUPAC Namedimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium
SMILESC[S+](C)c1ccc2oc3ccccc3c(=O)c2c1.C[S+](C)c1ccc2sc3ccccc3c(=O)c2c1.O=c1c2ccccc2oc2c([S+](c3ccccc3)c3ccccc3)cccc12.O=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12.O=c1c2ccccc2sc2c([S+](c3ccccc3)c3ccccc3)cccc12.O=c1c2ccccc2sc2ccc([S+](c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/2C25H17O2S.2C25H17OS2.C15H13O2S.C15H13OS2/c26-24-20-14-7-8-16-22(20)27-25-21(24)15-9-17-23(25)28(18-10-3-1-4-11-18)19-12-5-2-6-13-19;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;26-24-20-14-7-8-16-22(20)27-25-21(24)15-9-17-23(25)28(18-10-3-1-4-11-18)19-12-5-2-6-13-19;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*1-18(2)10-7-8-14-12(9-10)15(16)11-5-3-4-6-13(11)17-14/h4*1-17H;2*3-9H,1-2H3/q6*+1
InChIKeyLOGVGYDXMMXWDN-UHFFFAOYSA-N
XLogP31.94
TPSA141.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.78
LogP ≤ 531.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium with MolForge

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Related Compounds

10-(4-Methylphenyl)phenoxathiin-10-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenylthioxanthen-10-ium-9-one;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one
CID 158885337
Di(phenoxathiin-4-yl)methanone
CID 338200
(9-Oxoxanthen-2-yl)-diphenylsulfanium
CID 23021329
Bis(4-methylphenyl)-(9-oxoxanthen-2-yl)sulfanium
CID 23034968
(9-Oxoxanthen-2-yl)-diphenylsulfanium perchlorate
CID 23054178
(9-Oxoxanthen-2-yl)-diphenylsulfanium;tetraphenylboranuide
CID 23054185
(9-Oxoxanthen-4-yl)-diphenylsulfanium;tetraphenylboranuide
CID 23054187
(9-Oxoxanthen-4-yl)-diphenylsulfanium
CID 23054188
4-Dodecylbenzenesulfonate;(9-oxoxanthen-2-yl)-diphenylsulfanium
CID 23054287
(9-Oxoxanthen-2-yl)-diphenylsulfanium bromide
CID 23054326
(9-Oxoxanthen-2-yl)-diphenylsulfanium acetate
CID 23054328
4-Methylbenzenesulfonate;(9-oxoxanthen-4-yl)-diphenylsulfanium
CID 23057816

Frequently Asked Questions

What is the IUPAC name of dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium?
The IUPAC name of dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium (CID 159408521) is dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium.
What is the SMILES notation for dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium?
The canonical SMILES for dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium is C[S+](C)c1ccc2oc3ccccc3c(=O)c2c1.C[S+](C)c1ccc2sc3ccccc3c(=O)c2c1.O=c1c2ccccc2oc2c([S+](c3ccccc3)c3ccccc3)cccc12.O=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12.O=c1c2ccccc2sc2c([S+](c3ccccc3)c3ccccc3)cccc12.O=c1c2ccccc2sc2ccc([S+](c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium?
The InChIKey is LOGVGYDXMMXWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H17O2S.2C25H17OS2.C15H13O2S.C15H13OS2/c26-24-20-14-7-8-16-22(20)27-25-21(24)15-9-17-23(25)28(18-10-3-1-4-11-18)19-12-5-2-6-13-19;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;26-24-20-14-7-8-16-22(20)27-25-21(24)15-9-17-23(25)28(18-10-3-1-4-11-18)19-12-5-2-6-13-19;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*1-18(2)10-7-8-14-12(9-10)15(16)11-5-3-4-6-13(11)17-14/h4*1-17H;2*3-9H,1-2H3/q6*+1.
What are the key properties of dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium?
dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium has a molecular weight of 2088.78 g/mol, XLogP of 31.94, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(9-oxothioxanthen-2-yl)sulfanium;dimethyl-(9-oxoxanthen-2-yl)sulfanium;(9-oxothioxanthen-2-yl)-diphenylsulfanium;(9-oxothioxanthen-4-yl)-diphenylsulfanium;(9-oxoxanthen-2-yl)-diphenylsulfanium;(9-oxoxanthen-4-yl)-diphenylsulfanium is sourced from PubChem (CID 159408521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).