bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)

C30H24F2MoN4O2S4 — CID 10842661

IUPACbis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
SMILESFc1ccccc1/C=N\N=C(/[S-])SCc1ccccc1.Fc1ccccc1/C=N\N=C(/[S-])SCc1ccccc1.O=[Mo+2]=O
InChIInChI=1S/2C15H13FN2S2.Mo.2O/c2*16-14-9-5-4-8-13(14)10-17-18-15(19)20-11-12-6-2-1-3-7-12;;;/h2*1-10H,11H2,(H,18,19);;;/q;;+2;;/p-2/b2*17-10-;;;
InChIKeyBRGQNSXZXSNWLB-FXWGRLPESA-L
MW734.75 g/mol
LogP7.75
Rot. Bonds8

About bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)

bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) (PubChem CID 10842661) has the molecular formula C30H24F2MoN4O2S4 and a molecular weight of 734.75 g/mol. Its IUPAC name is bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+).

Molecular Properties

Compound Namebis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
PubChem CID10842661
Molecular FormulaC30H24F2MoN4O2S4
Molecular Weight734.75 g/mol
Exact Mass735.98
IUPAC Namebis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
SMILESFc1ccccc1/C=N\N=C(/[S-])SCc1ccccc1.Fc1ccccc1/C=N\N=C(/[S-])SCc1ccccc1.O=[Mo+2]=O
InChIInChI=1S/2C15H13FN2S2.Mo.2O/c2*16-14-9-5-4-8-13(14)10-17-18-15(19)20-11-12-6-2-1-3-7-12;;;/h2*1-10H,11H2,(H,18,19);;;/q;;+2;;/p-2/b2*17-10-;;;
InChIKeyBRGQNSXZXSNWLB-FXWGRLPESA-L
XLogP7.75
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.75
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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([benzylsulfanyl(sulfoniumylidene)methyl]-[(2-fluorophenyl)methylideneamino]azanide);dibutyltin
CID 3361564
bis((E)-benzylsulfanyl-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)
CID 10350114
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-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
The IUPAC name of bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) (CID 10842661) is bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+).
What is the SMILES notation for bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
The canonical SMILES for bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) is Fc1ccccc1/C=N\N=C(/[S-])SCc1ccccc1.Fc1ccccc1/C=N\N=C(/[S-])SCc1ccccc1.O=[Mo+2]=O.
What is the InChIKey of bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
The InChIKey is BRGQNSXZXSNWLB-FXWGRLPESA-L. The full InChI is InChI=1S/2C15H13FN2S2.Mo.2O/c2*16-14-9-5-4-8-13(14)10-17-18-15(19)20-11-12-6-2-1-3-7-12;;;/h2*1-10H,11H2,(H,18,19);;;/q;;+2;;/p-2/b2*17-10-;;;.
What are the key properties of bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+)?
bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) has a molecular weight of 734.75 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-benzylsulfanyl-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-sulfidomethane);dioxomolybdenum(2+) is sourced from PubChem (CID 10842661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).