[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)

C9H12N3O2PtS+3 — CID 50910386

IUPAC[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
SMILESCOc1cccc(C=NNC(N)=S)c1[OH2+].[Pt+2]
InChIInChI=1S/C9H11N3O2S.Pt/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;/h2-5,13H,1H3,(H3,10,12,15);/q;+2/p+1
InChIKeyUJMIUUZBFHPQSR-UHFFFAOYSA-O
MW421.36 g/mol
LogP0.30
Rot. Bonds3

About [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)

[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+) (PubChem CID 50910386) has the molecular formula C9H12N3O2PtS+3 and a molecular weight of 421.36 g/mol. Its IUPAC name is [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+).

Molecular Properties

Compound Name[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
PubChem CID50910386
Molecular FormulaC9H12N3O2PtS+3
Molecular Weight421.36 g/mol
Exact Mass421.03
IUPAC Name[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
SMILESCOc1cccc(C=NNC(N)=S)c1[OH2+].[Pt+2]
InChIInChI=1S/C9H11N3O2S.Pt/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;/h2-5,13H,1H3,(H3,10,12,15);/q;+2/p+1
InChIKeyUJMIUUZBFHPQSR-UHFFFAOYSA-O
XLogP0.30
TPSA82.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetate
CID 71669999
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
[3-(2-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 57221575
[(2,3-dichloro-4-methoxyphenyl)methylideneamino]thiourea
CID 91352635
[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]thiourea
CID 168535446
[(2-fluoro-4,5-dimethoxyphenyl)methylideneamino]thiourea
CID 168534705
[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031
[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6182583
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 71670011

Frequently Asked Questions

What is the IUPAC name of [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)?
The IUPAC name of [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+) (CID 50910386) is [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+).
What is the SMILES notation for [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)?
The canonical SMILES for [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+) is COc1cccc(C=NNC(N)=S)c1[OH2+].[Pt+2].
What is the InChIKey of [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)?
The InChIKey is UJMIUUZBFHPQSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N3O2S.Pt/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;/h2-5,13H,1H3,(H3,10,12,15);/q;+2/p+1.
What are the key properties of [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)?
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+) has a molecular weight of 421.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+) is sourced from PubChem (CID 50910386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).