cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate

C18H19ClO4S2 — CID 10692290

IUPACcyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc([S+](c2ccc(SC3CC3)cc2)C2CC2)cc1
InChIInChI=1S/C18H19S2.ClHO4/c1-2-4-16(5-3-1)20(18-12-13-18)17-10-8-15(9-11-17)19-14-6-7-14;2-1(3,4)5/h1-5,8-11,14,18H,6-7,12-13H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyDBNGKSLAWLFLDF-UHFFFAOYSA-M
MW398.93 g/mol
LogP0.38
Rot. Bonds5

About cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate

cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate (PubChem CID 10692290) has the molecular formula C18H19ClO4S2 and a molecular weight of 398.93 g/mol. Its IUPAC name is cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate.

Molecular Properties

Compound Namecyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate
PubChem CID10692290
Molecular FormulaC18H19ClO4S2
Molecular Weight398.93 g/mol
Exact Mass398.04
IUPAC Namecyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc([S+](c2ccc(SC3CC3)cc2)C2CC2)cc1
InChIInChI=1S/C18H19S2.ClHO4/c1-2-4-16(5-3-1)20(18-12-13-18)17-10-8-15(9-11-17)19-14-6-7-14;2-1(3,4)5/h1-5,8-11,14,18H,6-7,12-13H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyDBNGKSLAWLFLDF-UHFFFAOYSA-M
XLogP0.38
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate?
The IUPAC name of cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate (CID 10692290) is cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate.
What is the SMILES notation for cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate?
The canonical SMILES for cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc([S+](c2ccc(SC3CC3)cc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate?
The InChIKey is DBNGKSLAWLFLDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19S2.ClHO4/c1-2-4-16(5-3-1)20(18-12-13-18)17-10-8-15(9-11-17)19-14-6-7-14;2-1(3,4)5/h1-5,8-11,14,18H,6-7,12-13H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate?
cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate has a molecular weight of 398.93 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate is sourced from PubChem (CID 10692290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).