1,3,5-oxadiazinane-4-thione

C3H6N2OS — CID 130016208

IUPAC1,3,5-oxadiazinane-4-thione
SMILESS=C1NCOCN1
InChIInChI=1S/C3H6N2OS/c7-3-4-1-6-2-5-3/h1-2H2,(H2,4,5,7)
InChIKeyZCYITMWOHPZHDP-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.60
Rot. Bonds

About 1,3,5-oxadiazinane-4-thione

1,3,5-oxadiazinane-4-thione (PubChem CID 130016208) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is 1,3,5-oxadiazinane-4-thione.

Molecular Properties

Compound Name1,3,5-oxadiazinane-4-thione
PubChem CID130016208
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name1,3,5-oxadiazinane-4-thione
SMILESS=C1NCOCN1
InChIInChI=1S/C3H6N2OS/c7-3-4-1-6-2-5-3/h1-2H2,(H2,4,5,7)
InChIKeyZCYITMWOHPZHDP-UHFFFAOYSA-N
XLogP-0.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3,5-oxadiazinane-4-thione 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 1,3,5-oxadiazinane-4-thione?
The IUPAC name of 1,3,5-oxadiazinane-4-thione (CID 130016208) is 1,3,5-oxadiazinane-4-thione.
What is the SMILES notation for 1,3,5-oxadiazinane-4-thione?
The canonical SMILES for 1,3,5-oxadiazinane-4-thione is S=C1NCOCN1.
What is the InChIKey of 1,3,5-oxadiazinane-4-thione?
The InChIKey is ZCYITMWOHPZHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c7-3-4-1-6-2-5-3/h1-2H2,(H2,4,5,7).
What are the key properties of 1,3,5-oxadiazinane-4-thione?
1,3,5-oxadiazinane-4-thione has a molecular weight of 118.16 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-oxadiazinane-4-thione is sourced from PubChem (CID 130016208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).