diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene

C19H23S+ — CID 144560706

IUPACdiphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
SMILESC/C=C\C=C/CC.c1ccc([SH+]c2ccccc2)cc1
InChIInChI=1S/C12H10S.C7H12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10H;3,5-7H,4H2,1-2H3/p+1/b;5-3-,7-6-
InChIKeyCUVBUAOLIGDIKZ-CUBYKCRCSA-O
MW283.46 g/mol
LogP5.45
Rot. Bonds4

About diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene

diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene (PubChem CID 144560706) has the molecular formula C19H23S+ and a molecular weight of 283.46 g/mol. Its IUPAC name is diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene.

Molecular Properties

Compound Namediphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
PubChem CID144560706
Molecular FormulaC19H23S+
Molecular Weight283.46 g/mol
Exact Mass283.15
IUPAC Namediphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
SMILESC/C=C\C=C/CC.c1ccc([SH+]c2ccccc2)cc1
InChIInChI=1S/C12H10S.C7H12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10H;3,5-7H,4H2,1-2H3/p+1/b;5-3-,7-6-
InChIKeyCUVBUAOLIGDIKZ-CUBYKCRCSA-O
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene?
The IUPAC name of diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene (CID 144560706) is diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene.
What is the SMILES notation for diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene?
The canonical SMILES for diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene is C/C=C\C=C/CC.c1ccc([SH+]c2ccccc2)cc1.
What is the InChIKey of diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene?
The InChIKey is CUVBUAOLIGDIKZ-CUBYKCRCSA-O. The full InChI is InChI=1S/C12H10S.C7H12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10H;3,5-7H,4H2,1-2H3/p+1/b;5-3-,7-6-.
What are the key properties of diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene?
diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene has a molecular weight of 283.46 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene is sourced from PubChem (CID 144560706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).