methanidyl 4-methylbenzenesulfonate;rutherfordium

C8H9O3RfS- — CID 169042179

IUPACmethanidyl 4-methylbenzenesulfonate;rutherfordium
SMILES[CH2-]OS(=O)(=O)c1ccc(C)cc1.[Rf]
InChIInChI=1S/C8H9O3S.Rf/c1-7-3-5-8(6-4-7)12(9,10)11-2;/h3-6H,2H2,1H3;/q-1;
InChIKeyMWOVLYYYWOMDPT-UHFFFAOYSA-N
MW452.22 g/mol
LogP1.49
Rot. Bonds2

About methanidyl 4-methylbenzenesulfonate;rutherfordium

methanidyl 4-methylbenzenesulfonate;rutherfordium (PubChem CID 169042179) has the molecular formula C8H9O3RfS- and a molecular weight of 452.22 g/mol. Its IUPAC name is methanidyl 4-methylbenzenesulfonate;rutherfordium.

Molecular Properties

Compound Namemethanidyl 4-methylbenzenesulfonate;rutherfordium
PubChem CID169042179
Molecular FormulaC8H9O3RfS-
Molecular Weight452.22 g/mol
Exact Mass452.15
IUPAC Namemethanidyl 4-methylbenzenesulfonate;rutherfordium
SMILES[CH2-]OS(=O)(=O)c1ccc(C)cc1.[Rf]
InChIInChI=1S/C8H9O3S.Rf/c1-7-3-5-8(6-4-7)12(9,10)11-2;/h3-6H,2H2,1H3;/q-1;
InChIKeyMWOVLYYYWOMDPT-UHFFFAOYSA-N
XLogP1.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
amino 4-methylbenzenesulfonate
CID 10965249
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate
CID 14508313
bis-(4-methylphenyl)sulfonyloxystibanyl 4-methylbenzenesulfonate
CID 16703717
(4-methylphenyl)sulfonyl sulfate
CID 23103740
bis-(4-methylphenyl)sulfonyloxybismuthanyl 4-methylbenzenesulfonate
CID 140663364
CID 172832432
CID 172832432
perchloryl 4-methylbenzenesulfonate
CID 87266305
deuteriomethyl 4-methylbenzenesulfonate
CID 129134824
silyloxy 4-methylbenzenesulfonate
CID 131716836

Frequently Asked Questions

What is the IUPAC name of methanidyl 4-methylbenzenesulfonate;rutherfordium?
The IUPAC name of methanidyl 4-methylbenzenesulfonate;rutherfordium (CID 169042179) is methanidyl 4-methylbenzenesulfonate;rutherfordium.
What is the SMILES notation for methanidyl 4-methylbenzenesulfonate;rutherfordium?
The canonical SMILES for methanidyl 4-methylbenzenesulfonate;rutherfordium is [CH2-]OS(=O)(=O)c1ccc(C)cc1.[Rf].
What is the InChIKey of methanidyl 4-methylbenzenesulfonate;rutherfordium?
The InChIKey is MWOVLYYYWOMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3S.Rf/c1-7-3-5-8(6-4-7)12(9,10)11-2;/h3-6H,2H2,1H3;/q-1;.
What are the key properties of methanidyl 4-methylbenzenesulfonate;rutherfordium?
methanidyl 4-methylbenzenesulfonate;rutherfordium has a molecular weight of 452.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl 4-methylbenzenesulfonate;rutherfordium is sourced from PubChem (CID 169042179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).