bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)

C18H20F2N6PtS2+2 — CID 3618707

IUPACbis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)
SMILES[H]/[S+]=C(\N)[N-]N=C(C)c1ccccc1F.[H]/[S+]=C(\N)[N-]N=C(C)c1ccccc1F.[Pt+2]
InChIInChI=1S/2C9H10FN3S.Pt/c2*1-6(12-13-9(11)14)7-4-2-3-5-8(7)10;/h2*2-5H,1H3,(H3,11,13,14);/q;;+2
InChIKeyHOCZHBJCLWAHPG-UHFFFAOYSA-N
MW617.61 g/mol
LogP2.49
Rot. Bonds4

About bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)

bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+) (PubChem CID 3618707) has the molecular formula C18H20F2N6PtS2+2 and a molecular weight of 617.61 g/mol. Its IUPAC name is bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+).

Molecular Properties

Compound Namebis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)
PubChem CID3618707
Molecular FormulaC18H20F2N6PtS2+2
Molecular Weight617.61 g/mol
Exact Mass617.08
IUPAC Namebis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)
SMILES[H]/[S+]=C(\N)[N-]N=C(C)c1ccccc1F.[H]/[S+]=C(\N)[N-]N=C(C)c1ccccc1F.[Pt+2]
InChIInChI=1S/2C9H10FN3S.Pt/c2*1-6(12-13-9(11)14)7-4-2-3-5-8(7)10;/h2*2-5H,1H3,(H3,11,13,14);/q;;+2
InChIKeyHOCZHBJCLWAHPG-UHFFFAOYSA-N
XLogP2.49
TPSA104.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.61
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397679
[(Z)-1,3-diphenylpropylideneamino]thiourea
CID 44449925
Bis(3-Fluorophenyl)-ketone]thiosemicarbazone
CID 46232386
(1e,2e)-3-(Phenyl)-1-phenylprop-2-en-1-one thiosemicarbazone
CID 14699873
[(Z)-[1-(3-fluorophenyl)-3-phenylpropylidene]amino]thiourea
CID 44449893
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
[(4-Fluorophenyl)-(2-fluorophenyl)-ketone]thiosemicarbazone
CID 46232385
[(Z)-[(E)-3-(3-fluorophenyl)-1-phenylprop-2-enylidene]amino]thiourea
CID 54768720
[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]thiourea
CID 54768954
(1E)-1-(3-fluorophenyl)propan-1-one thiosemicarbazone
CID 10900297
Bis-(4-Fluorophenyl)-ketone]thiosemicarbazone
CID 46232387
(3-Phenyl)-(2-fluoro-phenyl)-methylthiosemicarbazone
CID 46233012

Frequently Asked Questions

What is the IUPAC name of bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)?
The IUPAC name of bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+) (CID 3618707) is bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+).
What is the SMILES notation for bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)?
The canonical SMILES for bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+) is [H]/[S+]=C(\N)[N-]N=C(C)c1ccccc1F.[H]/[S+]=C(\N)[N-]N=C(C)c1ccccc1F.[Pt+2].
What is the InChIKey of bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)?
The InChIKey is HOCZHBJCLWAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10FN3S.Pt/c2*1-6(12-13-9(11)14)7-4-2-3-5-8(7)10;/h2*2-5H,1H3,(H3,11,13,14);/q;;+2.
What are the key properties of bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+)?
bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+) has a molecular weight of 617.61 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([amino(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);platinum(2+) is sourced from PubChem (CID 3618707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).