1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)

C6H11NSW — CID 59898510

IUPAC1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)
SMILES[CH2-]CC/N=[C-]/SCC.[W+2]
InChIInChI=1S/C6H11NS.W/c1-3-5-7-6-8-4-2;/h1,3-5H2,2H3;/q-2;+2
InChIKeyRBCOIQJJSHVDGM-UHFFFAOYSA-N
MW313.07 g/mol
LogP1.87
Rot. Bonds4

About 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)

1-ethylsulfanyl-N-propylmethanimine;tungsten(2+) (PubChem CID 59898510) has the molecular formula C6H11NSW and a molecular weight of 313.07 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+).

Molecular Properties

Compound Name1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)
PubChem CID59898510
Molecular FormulaC6H11NSW
Molecular Weight313.07 g/mol
Exact Mass313.01
IUPAC Name1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)
SMILES[CH2-]CC/N=[C-]/SCC.[W+2]
InChIInChI=1S/C6H11NS.W/c1-3-5-7-6-8-4-2;/h1,3-5H2,2H3;/q-2;+2
InChIKeyRBCOIQJJSHVDGM-UHFFFAOYSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+) 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 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)?
The IUPAC name of 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+) (CID 59898510) is 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+).
What is the SMILES notation for 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)?
The canonical SMILES for 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+) is [CH2-]CC/N=[C-]/SCC.[W+2].
What is the InChIKey of 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)?
The InChIKey is RBCOIQJJSHVDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.W/c1-3-5-7-6-8-4-2;/h1,3-5H2,2H3;/q-2;+2.
What are the key properties of 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)?
1-ethylsulfanyl-N-propylmethanimine;tungsten(2+) has a molecular weight of 313.07 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-propylmethanimine;tungsten(2+) is sourced from PubChem (CID 59898510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).