bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)

C34H30MoN4O2S4 — CID 10350114

IUPACbis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
SMILESO=[Mo+2]=O.[S-]/C(=N\N=C\C=C\c1ccccc1)SCc1ccccc1.[S-]/C(=N\N=C\C=C\c1ccccc1)SCc1ccccc1
InChIInChI=1S/2C17H16N2S2.Mo.2O/c2*20-17(21-14-16-10-5-2-6-11-16)19-18-13-7-12-15-8-3-1-4-9-15;;;/h2*1-13H,14H2,(H,19,20);;;/q;;+2;;/p-2/b2*12-7+,18-13+;;;
InChIKeyMTZZMGAAOJSIAS-QULIHBRNSA-L
MW750.85 g/mol
LogP8.80
Rot. Bonds10

About bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)

bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) (PubChem CID 10350114) has the molecular formula C34H30MoN4O2S4 and a molecular weight of 750.85 g/mol. Its IUPAC name is bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+).

Molecular Properties

Compound Namebis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
PubChem CID10350114
Molecular FormulaC34H30MoN4O2S4
Molecular Weight750.85 g/mol
Exact Mass752.03
IUPAC Namebis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
SMILESO=[Mo+2]=O.[S-]/C(=N\N=C\C=C\c1ccccc1)SCc1ccccc1.[S-]/C(=N\N=C\C=C\c1ccccc1)SCc1ccccc1
InChIInChI=1S/2C17H16N2S2.Mo.2O/c2*20-17(21-14-16-10-5-2-6-11-16)19-18-13-7-12-15-8-3-1-4-9-15;;;/h2*1-13H,14H2,(H,19,20);;;/q;;+2;;/p-2/b2*12-7+,18-13+;;;
InChIKeyMTZZMGAAOJSIAS-QULIHBRNSA-L
XLogP8.80
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.85
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
CID 10842661
bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
CID 15967319
bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
CID 15970547

Frequently Asked Questions

What is the IUPAC name of bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
The IUPAC name of bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) (CID 10350114) is bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+).
What is the SMILES notation for bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
The canonical SMILES for bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) is O=[Mo+2]=O.[S-]/C(=N\N=C\C=C\c1ccccc1)SCc1ccccc1.[S-]/C(=N\N=C\C=C\c1ccccc1)SCc1ccccc1.
What is the InChIKey of bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
The InChIKey is MTZZMGAAOJSIAS-QULIHBRNSA-L. The full InChI is InChI=1S/2C17H16N2S2.Mo.2O/c2*20-17(21-14-16-10-5-2-6-11-16)19-18-13-7-12-15-8-3-1-4-9-15;;;/h2*1-13H,14H2,(H,19,20);;;/q;;+2;;/p-2/b2*12-7+,18-13+;;;.
What are the key properties of bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) has a molecular weight of 750.85 g/mol, XLogP of 8.80, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) is sourced from PubChem (CID 10350114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).