hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium

C19H17AsF6S — CID 23133107

IUPAChexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium
SMILESCc1ccccc1[S+](c1ccccc1)c1ccccc1.F[As-](F)(F)(F)(F)F
InChIInChI=1S/C19H17S.AsF6/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;2-1(3,4,5,6)7/h2-15H,1H3;/q+1;-1
InChIKeyDCUNMOPQIAKAJK-UHFFFAOYSA-N
MW466.32 g/mol
LogP7.23
Rot. Bonds3

About hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium

hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium (PubChem CID 23133107) has the molecular formula C19H17AsF6S and a molecular weight of 466.32 g/mol. Its IUPAC name is hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Namehexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium
PubChem CID23133107
Molecular FormulaC19H17AsF6S
Molecular Weight466.32 g/mol
Exact Mass466.02
IUPAC Namehexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium
SMILESCc1ccccc1[S+](c1ccccc1)c1ccccc1.F[As-](F)(F)(F)(F)F
InChIInChI=1S/C19H17S.AsF6/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;2-1(3,4,5,6)7/h2-15H,1H3;/q+1;-1
InChIKeyDCUNMOPQIAKAJK-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium
CID 59733796
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
CID 173312038
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-methylphenyl)-diphenylsulfanium
CID 159160360
bis(2-hydroxyphenyl)-phenylsulfanium;hexafluoroarsenic(1-)
CID 19382081
bis(2,6-dimethylphenyl)-phenylsulfanium
CID 22057384
(4-tert-butyl-2-methylphenyl)-(4-tert-butylphenyl)-phenylsulfanium
CID 154007120
[4-[(4-iodophenyl)methyl]phenyl]-bis(2-methylphenyl)sulfanium
CID 172758929
(2,3-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfanium
CID 151044563
diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-ethylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 161235230
(2-bromophenyl)-diphenylsulfanium
CID 87494975
(2-methylphenyl)-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium;phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)sulfanylphenyl]sulfanium
CID 160622812
benzene;1,2-xylene
CID 161464493

Frequently Asked Questions

What is the IUPAC name of hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium?
The IUPAC name of hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium (CID 23133107) is hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium.
What is the SMILES notation for hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium?
The canonical SMILES for hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium is Cc1ccccc1[S+](c1ccccc1)c1ccccc1.F[As-](F)(F)(F)(F)F.
What is the InChIKey of hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium?
The InChIKey is DCUNMOPQIAKAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17S.AsF6/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;2-1(3,4,5,6)7/h2-15H,1H3;/q+1;-1.
What are the key properties of hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium?
hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium has a molecular weight of 466.32 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium is sourced from PubChem (CID 23133107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).