6-ethyl-4,4-dimethyl-1,3-thiazine

C8H13NS — CID 143420855

IUPAC6-ethyl-4,4-dimethyl-1,3-thiazine
SMILESCCC1=CC(C)(C)N=CS1
InChIInChI=1S/C8H13NS/c1-4-7-5-8(2,3)9-6-10-7/h5-6H,4H2,1-3H3
InChIKeyZFLXHBWUSFZCCW-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.83
Rot. Bonds1

About 6-ethyl-4,4-dimethyl-1,3-thiazine

6-ethyl-4,4-dimethyl-1,3-thiazine (PubChem CID 143420855) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 6-ethyl-4,4-dimethyl-1,3-thiazine.

Molecular Properties

Compound Name6-ethyl-4,4-dimethyl-1,3-thiazine
PubChem CID143420855
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name6-ethyl-4,4-dimethyl-1,3-thiazine
SMILESCCC1=CC(C)(C)N=CS1
InChIInChI=1S/C8H13NS/c1-4-7-5-8(2,3)9-6-10-7/h5-6H,4H2,1-3H3
InChIKeyZFLXHBWUSFZCCW-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,4-dimethyl-1,3-thiazine?
The IUPAC name of 6-ethyl-4,4-dimethyl-1,3-thiazine (CID 143420855) is 6-ethyl-4,4-dimethyl-1,3-thiazine.
What is the SMILES notation for 6-ethyl-4,4-dimethyl-1,3-thiazine?
The canonical SMILES for 6-ethyl-4,4-dimethyl-1,3-thiazine is CCC1=CC(C)(C)N=CS1.
What is the InChIKey of 6-ethyl-4,4-dimethyl-1,3-thiazine?
The InChIKey is ZFLXHBWUSFZCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-7-5-8(2,3)9-6-10-7/h5-6H,4H2,1-3H3.
What are the key properties of 6-ethyl-4,4-dimethyl-1,3-thiazine?
6-ethyl-4,4-dimethyl-1,3-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,4-dimethyl-1,3-thiazine is sourced from PubChem (CID 143420855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).