3,6,6-trimethylthiazine

C7H11NS — CID 138706723

IUPAC3,6,6-trimethylthiazine
SMILESCC1=NSC(C)(C)C=C1
InChIInChI=1S/C7H11NS/c1-6-4-5-7(2,3)9-8-6/h4-5H,1-3H3
InChIKeyFKCDZJRMCNCZNE-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.44
Rot. Bonds

About 3,6,6-trimethylthiazine

3,6,6-trimethylthiazine (PubChem CID 138706723) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3,6,6-trimethylthiazine.

Molecular Properties

Compound Name3,6,6-trimethylthiazine
PubChem CID138706723
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3,6,6-trimethylthiazine
SMILESCC1=NSC(C)(C)C=C1
InChIInChI=1S/C7H11NS/c1-6-4-5-7(2,3)9-8-6/h4-5H,1-3H3
InChIKeyFKCDZJRMCNCZNE-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethylthiazine?
The IUPAC name of 3,6,6-trimethylthiazine (CID 138706723) is 3,6,6-trimethylthiazine.
What is the SMILES notation for 3,6,6-trimethylthiazine?
The canonical SMILES for 3,6,6-trimethylthiazine is CC1=NSC(C)(C)C=C1.
What is the InChIKey of 3,6,6-trimethylthiazine?
The InChIKey is FKCDZJRMCNCZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-4-5-7(2,3)9-8-6/h4-5H,1-3H3.
What are the key properties of 3,6,6-trimethylthiazine?
3,6,6-trimethylthiazine has a molecular weight of 141.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethylthiazine is sourced from PubChem (CID 138706723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).