bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)

C30H28N6O4PtS2 — CID 135506976

IUPACbis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)
SMILESCOc1cccc(/C=N/N/C([S-])=N/c2ccccc2)c1O.COc1cccc(/C=N/N/C([S-])=N\c2ccccc2)c1O.[Pt+2]
InChIInChI=1S/2C15H15N3O2S.Pt/c2*1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;/h2*2-10,19H,1H3,(H2,17,18,21);/q;;+2/p-2/b2*16-10+;
InChIKeyRDVXILBSRZBOBH-JEFRERBXSA-L
MW795.80 g/mol
LogP5.12
Rot. Bonds8

About bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)

bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+) (PubChem CID 135506976) has the molecular formula C30H28N6O4PtS2 and a molecular weight of 795.80 g/mol. Its IUPAC name is bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+).

Molecular Properties

Compound Namebis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)
PubChem CID135506976
Molecular FormulaC30H28N6O4PtS2
Molecular Weight795.80 g/mol
Exact Mass795.13
IUPAC Namebis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)
SMILESCOc1cccc(/C=N/N/C([S-])=N/c2ccccc2)c1O.COc1cccc(/C=N/N/C([S-])=N\c2ccccc2)c1O.[Pt+2]
InChIInChI=1S/2C15H15N3O2S.Pt/c2*1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;/h2*2-10,19H,1H3,(H2,17,18,21);/q;;+2/p-2/b2*16-10+;
InChIKeyRDVXILBSRZBOBH-JEFRERBXSA-L
XLogP5.12
TPSA132.42 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.80
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)
CID 135451827
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 135676076
1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135745561
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105356
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239
1-(4-fluorophenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135842072

Frequently Asked Questions

What is the IUPAC name of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)?
The IUPAC name of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+) (CID 135506976) is bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+).
What is the SMILES notation for bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)?
The canonical SMILES for bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+) is COc1cccc(/C=N/N/C([S-])=N/c2ccccc2)c1O.COc1cccc(/C=N/N/C([S-])=N\c2ccccc2)c1O.[Pt+2].
What is the InChIKey of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)?
The InChIKey is RDVXILBSRZBOBH-JEFRERBXSA-L. The full InChI is InChI=1S/2C15H15N3O2S.Pt/c2*1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;/h2*2-10,19H,1H3,(H2,17,18,21);/q;;+2/p-2/b2*16-10+;.
What are the key properties of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)?
bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+) has a molecular weight of 795.80 g/mol, XLogP of 5.12, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+) is sourced from PubChem (CID 135506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).