[(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate

C18H14Cl2O4S — CID 87484243

IUPAC[(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2O4S/c19-15-11-13-18(14-12-15)25(24-20(21,22)23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyDTQVPXJQHUIFIN-UHFFFAOYSA-N
MW397.28 g/mol
LogP2.45
Rot. Bonds5

About [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate

[(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate (PubChem CID 87484243) has the molecular formula C18H14Cl2O4S and a molecular weight of 397.28 g/mol. Its IUPAC name is [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate.

Molecular Properties

Compound Name[(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
PubChem CID87484243
Molecular FormulaC18H14Cl2O4S
Molecular Weight397.28 g/mol
Exact Mass396.00
IUPAC Name[(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2O4S/c19-15-11-13-18(14-12-15)25(24-20(21,22)23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyDTQVPXJQHUIFIN-UHFFFAOYSA-N
XLogP2.45
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate
CID 87483008
[[4-(2-benzoylphenyl)sulfanylphenyl]-bis(4-chlorophenyl)-λ4-sulfanyl] perchlorate
CID 139989936
[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate
CID 139628814
[[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenyl-λ4-sulfanyl] perchlorate
CID 140632972
[3-chloropropyl(diphenyl)-λ4-sulfanyl] perchlorate
CID 88765066
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
benzene;chlorobenzene
CID 159657667
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
benzene;4-chlorobenzenesulfonic acid
CID 159988924
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
The IUPAC name of [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate (CID 87484243) is [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate.
What is the SMILES notation for [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
The canonical SMILES for [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate is [O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
The InChIKey is DTQVPXJQHUIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O4S/c19-15-11-13-18(14-12-15)25(24-20(21,22)23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H.
What are the key properties of [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
[(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate has a molecular weight of 397.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-diphenyl-λ4-sulfanyl] perchlorate is sourced from PubChem (CID 87484243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).