3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine

C4H8N2OS — CID 176680689

IUPAC3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine
SMILESCC1=NOCCN1S
InChIInChI=1S/C4H8N2OS/c1-4-5-7-3-2-6(4)8/h8H,2-3H2,1H3
InChIKeyGNDZTIWHTZATKR-UHFFFAOYSA-N
MW132.19 g/mol
LogP0.50
Rot. Bonds

About 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine

3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine (PubChem CID 176680689) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine.

Molecular Properties

Compound Name3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine
PubChem CID176680689
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine
SMILESCC1=NOCCN1S
InChIInChI=1S/C4H8N2OS/c1-4-5-7-3-2-6(4)8/h8H,2-3H2,1H3
InChIKeyGNDZTIWHTZATKR-UHFFFAOYSA-N
XLogP0.50
TPSA24.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine 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 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine?
The IUPAC name of 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine (CID 176680689) is 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine.
What is the SMILES notation for 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine?
The canonical SMILES for 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine is CC1=NOCCN1S.
What is the InChIKey of 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine?
The InChIKey is GNDZTIWHTZATKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c1-4-5-7-3-2-6(4)8/h8H,2-3H2,1H3.
What are the key properties of 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine?
3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine has a molecular weight of 132.19 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine is sourced from PubChem (CID 176680689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).