[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate

C12H19ClO4S — CID 134894574

IUPAC[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate
SMILESCc1cc(C)c(CS(C)(C)O[Cl+3]([O-])([O-])[O-])c(C)c1
InChIInChI=1S/C12H19ClO4S/c1-9-6-10(2)12(11(3)7-9)8-18(4,5)17-13(14,15)16/h6-7H,8H2,1-5H3
InChIKeyROJPEGJBQYOFLU-UHFFFAOYSA-N
MW294.80 g/mol
LogP0.00
Rot. Bonds4

About [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate

[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate (PubChem CID 134894574) has the molecular formula C12H19ClO4S and a molecular weight of 294.80 g/mol. Its IUPAC name is [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate.

Molecular Properties

Compound Name[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate
PubChem CID134894574
Molecular FormulaC12H19ClO4S
Molecular Weight294.80 g/mol
Exact Mass294.07
IUPAC Name[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate
SMILESCc1cc(C)c(CS(C)(C)O[Cl+3]([O-])([O-])[O-])c(C)c1
InChIInChI=1S/C12H19ClO4S/c1-9-6-10(2)12(11(3)7-9)8-18(4,5)17-13(14,15)16/h6-7H,8H2,1-5H3
InChIKeyROJPEGJBQYOFLU-UHFFFAOYSA-N
XLogP0.00
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate?
The IUPAC name of [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate (CID 134894574) is [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate.
What is the SMILES notation for [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate?
The canonical SMILES for [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate is Cc1cc(C)c(CS(C)(C)O[Cl+3]([O-])([O-])[O-])c(C)c1.
What is the InChIKey of [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate?
The InChIKey is ROJPEGJBQYOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO4S/c1-9-6-10(2)12(11(3)7-9)8-18(4,5)17-13(14,15)16/h6-7H,8H2,1-5H3.
What are the key properties of [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate?
[dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate has a molecular weight of 294.80 g/mol, XLogP of 0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[(2,4,6-trimethylphenyl)methyl]-λ4-sulfanyl] perchlorate is sourced from PubChem (CID 134894574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).