bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)

C36H30MoN8S2 — CID 139130645

IUPACbis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)
SMILESCSc1ccccc1[N-]c1ccccc1/N=N/c1ccccn1.CSc1ccccc1[N-]c1ccccc1/N=N/c1ccccn1.[Mo+2]
InChIInChI=1S/2C18H15N4S.Mo/c2*1-23-17-11-5-4-10-16(17)20-14-8-2-3-9-15(14)21-22-18-12-6-7-13-19-18;/h2*2-13H,1H3;/q2*-1;+2/b2*22-21+;
InChIKeyYCLPZBTYKBGCJA-JTVZJQPRSA-N
MW734.77 g/mol
LogP13.11
Rot. Bonds10

About bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)

bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+) (PubChem CID 139130645) has the molecular formula C36H30MoN8S2 and a molecular weight of 734.77 g/mol. Its IUPAC name is bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+).

Molecular Properties

Compound Namebis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)
PubChem CID139130645
Molecular FormulaC36H30MoN8S2
Molecular Weight734.77 g/mol
Exact Mass736.11
IUPAC Namebis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)
SMILESCSc1ccccc1[N-]c1ccccc1/N=N/c1ccccn1.CSc1ccccc1[N-]c1ccccc1/N=N/c1ccccn1.[Mo+2]
InChIInChI=1S/2C18H15N4S.Mo/c2*1-23-17-11-5-4-10-16(17)20-14-8-2-3-9-15(14)21-22-18-12-6-7-13-19-18;/h2*2-13H,1H3;/q2*-1;+2/b2*22-21+;
InChIKeyYCLPZBTYKBGCJA-JTVZJQPRSA-N
XLogP13.11
TPSA103.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.77
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)?
The IUPAC name of bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+) (CID 139130645) is bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+).
What is the SMILES notation for bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)?
The canonical SMILES for bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+) is CSc1ccccc1[N-]c1ccccc1/N=N/c1ccccn1.CSc1ccccc1[N-]c1ccccc1/N=N/c1ccccn1.[Mo+2].
What is the InChIKey of bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)?
The InChIKey is YCLPZBTYKBGCJA-JTVZJQPRSA-N. The full InChI is InChI=1S/2C18H15N4S.Mo/c2*1-23-17-11-5-4-10-16(17)20-14-8-2-3-9-15(14)21-22-18-12-6-7-13-19-18;/h2*2-13H,1H3;/q2*-1;+2/b2*22-21+;.
What are the key properties of bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+)?
bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+) has a molecular weight of 734.77 g/mol, XLogP of 13.11, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-methylsulfanylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);molybdenum(2+) is sourced from PubChem (CID 139130645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).