methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide

C9H17NO2PRuS — CID 160938991

IUPACmethane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide
SMILESC.CC(=O)OCC=C(C)C.[N-]=CP=S.[Ru+]
InChIInChI=1S/C7H12O2.CHNPS.CH4.Ru/c1-6(2)4-5-9-7(3)8;2-1-3-4;;/h4H,5H2,1-3H3;1H;1H4;/q;-1;;+1
InChIKeyBIZXJXWJNSGFEA-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.14
Rot. Bonds3

About methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide

methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide (PubChem CID 160938991) has the molecular formula C9H17NO2PRuS and a molecular weight of 335.35 g/mol. Its IUPAC name is methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide.

Molecular Properties

Compound Namemethane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide
PubChem CID160938991
Molecular FormulaC9H17NO2PRuS
Molecular Weight335.35 g/mol
Exact Mass335.98
IUPAC Namemethane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide
SMILESC.CC(=O)OCC=C(C)C.[N-]=CP=S.[Ru+]
InChIInChI=1S/C7H12O2.CHNPS.CH4.Ru/c1-6(2)4-5-9-7(3)8;2-1-3-4;;/h4H,5H2,1-3H3;1H;1H4;/q;-1;;+1
InChIKeyBIZXJXWJNSGFEA-UHFFFAOYSA-N
XLogP3.14
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide?
The IUPAC name of methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide (CID 160938991) is methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide.
What is the SMILES notation for methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide?
The canonical SMILES for methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide is C.CC(=O)OCC=C(C)C.[N-]=CP=S.[Ru+].
What is the InChIKey of methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide?
The InChIKey is BIZXJXWJNSGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.CHNPS.CH4.Ru/c1-6(2)4-5-9-7(3)8;2-1-3-4;;/h4H,5H2,1-3H3;1H;1H4;/q;-1;;+1.
What are the key properties of methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide?
methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide has a molecular weight of 335.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbut-2-enyl acetate;ruthenium(1+);thiophosphorosomethylideneazanide is sourced from PubChem (CID 160938991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).