[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate

C15H16Cl2O4S — CID 88765066

IUPAC[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(CCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16Cl2O4S/c16-12-7-13-22(21-17(18,19)20,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyMTSPIFKVAHDIQJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP1.37
Rot. Bonds7

About [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate

[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate (PubChem CID 88765066) has the molecular formula C15H16Cl2O4S and a molecular weight of 363.26 g/mol. Its IUPAC name is [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate.

Molecular Properties

Compound Name[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate
PubChem CID88765066
Molecular FormulaC15H16Cl2O4S
Molecular Weight363.26 g/mol
Exact Mass362.01
IUPAC Name[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(CCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16Cl2O4S/c16-12-7-13-22(21-17(18,19)20,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyMTSPIFKVAHDIQJ-UHFFFAOYSA-N
XLogP1.37
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate?
The IUPAC name of [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate (CID 88765066) is [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate.
What is the SMILES notation for [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate?
The canonical SMILES for [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate is [O-][Cl+3]([O-])([O-])OS(CCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate?
The InChIKey is MTSPIFKVAHDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O4S/c16-12-7-13-22(21-17(18,19)20,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate?
[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate has a molecular weight of 363.26 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate is sourced from PubChem (CID 88765066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).