4-ethyl-2,6-dimethyl-1,3,5-dithiazinane

C7H15NS2 — CID 528360

IUPAC4-ethyl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCC1NC(C)SC(C)S1
InChIInChI=1S/C7H15NS2/c1-4-7-8-5(2)9-6(3)10-7/h5-8H,4H2,1-3H3
InChIKeyZORZRADCTZBZSE-UHFFFAOYSA-N
MW177.34 g/mol
LogP2.48
Rot. Bonds1

About 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane

4-ethyl-2,6-dimethyl-1,3,5-dithiazinane (PubChem CID 528360) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-1,3,5-dithiazinane
PubChem CID528360
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name4-ethyl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCC1NC(C)SC(C)S1
InChIInChI=1S/C7H15NS2/c1-4-7-8-5(2)9-6(3)10-7/h5-8H,4H2,1-3H3
InChIKeyZORZRADCTZBZSE-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane?
The IUPAC name of 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane (CID 528360) is 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane?
The canonical SMILES for 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane is CCC1NC(C)SC(C)S1.
What is the InChIKey of 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane?
The InChIKey is ZORZRADCTZBZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-4-7-8-5(2)9-6(3)10-7/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane?
4-ethyl-2,6-dimethyl-1,3,5-dithiazinane has a molecular weight of 177.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 528360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).