2,6,6-trimethyl-1,3-thiazine

C7H11NS — CID 123615359

IUPAC2,6,6-trimethyl-1,3-thiazine
SMILESCC1=NC=CC(C)(C)S1
InChIInChI=1S/C7H11NS/c1-6-8-5-4-7(2,3)9-6/h4-5H,1-3H3
InChIKeyBPBLSXWJTODXHA-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.44
Rot. Bonds

About 2,6,6-trimethyl-1,3-thiazine

2,6,6-trimethyl-1,3-thiazine (PubChem CID 123615359) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,6,6-trimethyl-1,3-thiazine.

Molecular Properties

Compound Name2,6,6-trimethyl-1,3-thiazine
PubChem CID123615359
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,6,6-trimethyl-1,3-thiazine
SMILESCC1=NC=CC(C)(C)S1
InChIInChI=1S/C7H11NS/c1-6-8-5-4-7(2,3)9-6/h4-5H,1-3H3
InChIKeyBPBLSXWJTODXHA-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

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1,3-thiazine?
The IUPAC name of 2,6,6-trimethyl-1,3-thiazine (CID 123615359) is 2,6,6-trimethyl-1,3-thiazine.
What is the SMILES notation for 2,6,6-trimethyl-1,3-thiazine?
The canonical SMILES for 2,6,6-trimethyl-1,3-thiazine is CC1=NC=CC(C)(C)S1.
What is the InChIKey of 2,6,6-trimethyl-1,3-thiazine?
The InChIKey is BPBLSXWJTODXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-8-5-4-7(2,3)9-6/h4-5H,1-3H3.
What are the key properties of 2,6,6-trimethyl-1,3-thiazine?
2,6,6-trimethyl-1,3-thiazine 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 2,6,6-trimethyl-1,3-thiazine is sourced from PubChem (CID 123615359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).