4-methyl-2H-thiadiazine

C4H6N2S — CID 67709793

IUPAC4-methyl-2H-thiadiazine
SMILESCC1=NNSC=C1
InChIInChI=1S/C4H6N2S/c1-4-2-3-7-6-5-4/h2-3,6H,1H3
InChIKeyURZAZLPWCARJQV-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.13
Rot. Bonds

About 4-methyl-2H-thiadiazine

4-methyl-2H-thiadiazine (PubChem CID 67709793) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 4-methyl-2H-thiadiazine.

Molecular Properties

Compound Name4-methyl-2H-thiadiazine
PubChem CID67709793
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name4-methyl-2H-thiadiazine
SMILESCC1=NNSC=C1
InChIInChI=1S/C4H6N2S/c1-4-2-3-7-6-5-4/h2-3,6H,1H3
InChIKeyURZAZLPWCARJQV-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-thia-2-azacyclohexa-2,4,5-triene
CID 129288095
3-Methyl-1,2-thiazol-1-ium-1-amine
CID 172818356
4-Methyldithiazine
CID 175548604

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-thiadiazine?
The IUPAC name of 4-methyl-2H-thiadiazine (CID 67709793) is 4-methyl-2H-thiadiazine.
What is the SMILES notation for 4-methyl-2H-thiadiazine?
The canonical SMILES for 4-methyl-2H-thiadiazine is CC1=NNSC=C1.
What is the InChIKey of 4-methyl-2H-thiadiazine?
The InChIKey is URZAZLPWCARJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-4-2-3-7-6-5-4/h2-3,6H,1H3.
What are the key properties of 4-methyl-2H-thiadiazine?
4-methyl-2H-thiadiazine has a molecular weight of 114.17 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-thiadiazine is sourced from PubChem (CID 67709793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).