methylimino(oxo)methane;thiolane

C6H11NOS — CID 174547179

IUPACmethylimino(oxo)methane;thiolane
SMILESC1CCSC1.CN=C=O
InChIInChI=1S/C4H8S.C2H3NO/c1-2-4-5-3-1;1-3-2-4/h1-4H2;1H3
InChIKeyUJJDYJFKCGMVRD-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.47
Rot. Bonds

About methylimino(oxo)methane;thiolane

methylimino(oxo)methane;thiolane (PubChem CID 174547179) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is methylimino(oxo)methane;thiolane.

Molecular Properties

Compound Namemethylimino(oxo)methane;thiolane
PubChem CID174547179
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Namemethylimino(oxo)methane;thiolane
SMILESC1CCSC1.CN=C=O
InChIInChI=1S/C4H8S.C2H3NO/c1-2-4-5-3-1;1-3-2-4/h1-4H2;1H3
InChIKeyUJJDYJFKCGMVRD-UHFFFAOYSA-N
XLogP1.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methylimino(oxo)methane;thiolane 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 methylimino(oxo)methane;thiolane?
The IUPAC name of methylimino(oxo)methane;thiolane (CID 174547179) is methylimino(oxo)methane;thiolane.
What is the SMILES notation for methylimino(oxo)methane;thiolane?
The canonical SMILES for methylimino(oxo)methane;thiolane is C1CCSC1.CN=C=O.
What is the InChIKey of methylimino(oxo)methane;thiolane?
The InChIKey is UJJDYJFKCGMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.C2H3NO/c1-2-4-5-3-1;1-3-2-4/h1-4H2;1H3.
What are the key properties of methylimino(oxo)methane;thiolane?
methylimino(oxo)methane;thiolane has a molecular weight of 145.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;thiolane is sourced from PubChem (CID 174547179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).