4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)

C12H10ClN3O2PtS — CID 135546965

IUPAC4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)
SMILESCc1c(O)c(/N=N/C(N)=S)c2ccccc2c1[O-].Cl[Pt+]
InChIInChI=1S/C12H11N3O2S.ClH.Pt/c1-6-10(16)8-5-3-2-4-7(8)9(11(6)17)14-15-12(13)18;;/h2-5,16-17H,1H3,(H2,13,18);1H;/q;;+2/p-2/b15-14+;;
InChIKeyFCVQDFHTGUVQKN-NSKUCRDLSA-L
MW490.83 g/mol
LogP2.94
Rot. Bonds1

About 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)

4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+) (PubChem CID 135546965) has the molecular formula C12H10ClN3O2PtS and a molecular weight of 490.83 g/mol. Its IUPAC name is 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+).

Molecular Properties

Compound Name4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)
PubChem CID135546965
Molecular FormulaC12H10ClN3O2PtS
Molecular Weight490.83 g/mol
Exact Mass489.98
IUPAC Name4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)
SMILESCc1c(O)c(/N=N/C(N)=S)c2ccccc2c1[O-].Cl[Pt+]
InChIInChI=1S/C12H11N3O2S.ClH.Pt/c1-6-10(16)8-5-3-2-4-7(8)9(11(6)17)14-15-12(13)18;;/h2-5,16-17H,1H3,(H2,13,18);1H;/q;;+2/p-2/b15-14+;;
InChIKeyFCVQDFHTGUVQKN-NSKUCRDLSA-L
XLogP2.94
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.83
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)?
The IUPAC name of 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+) (CID 135546965) is 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+).
What is the SMILES notation for 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)?
The canonical SMILES for 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+) is Cc1c(O)c(/N=N/C(N)=S)c2ccccc2c1[O-].Cl[Pt+].
What is the InChIKey of 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)?
The InChIKey is FCVQDFHTGUVQKN-NSKUCRDLSA-L. The full InChI is InChI=1S/C12H11N3O2S.ClH.Pt/c1-6-10(16)8-5-3-2-4-7(8)9(11(6)17)14-15-12(13)18;;/h2-5,16-17H,1H3,(H2,13,18);1H;/q;;+2/p-2/b15-14+;;.
What are the key properties of 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+)?
4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+) has a molecular weight of 490.83 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamothioyldiazenyl)-3-hydroxy-2-methylnaphthalen-1-olate;chloroplatinum(1+) is sourced from PubChem (CID 135546965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).