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

C7H15NS2 — CID 529054

IUPAC2-ethyl-4,6-dimethyl-1,3,5-dithiazinane
SMILESCCC1SC(C)NC(C)S1
InChIInChI=1S/C7H15NS2/c1-4-7-9-5(2)8-6(3)10-7/h5-8H,4H2,1-3H3
InChIKeyBHTMBVSWSZTUBT-UHFFFAOYSA-N
MW177.34 g/mol
LogP2.48
Rot. Bonds1

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

2-ethyl-4,6-dimethyl-1,3,5-dithiazinane (PubChem CID 529054) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2-ethyl-4,6-dimethyl-1,3,5-dithiazinane
PubChem CID529054
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name2-ethyl-4,6-dimethyl-1,3,5-dithiazinane
SMILESCCC1SC(C)NC(C)S1
InChIInChI=1S/C7H15NS2/c1-4-7-9-5(2)8-6(3)10-7/h5-8H,4H2,1-3H3
InChIKeyBHTMBVSWSZTUBT-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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Related Compounds

2,4,6-Trimethyldihydro-1,3,5-dithiazine
CID 12518
2,4,6-Triethyl-1,3,5-dithiazinane
CID 547350
2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
CID 529056
Thialdine
CID 13072565
2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529055
Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine
CID 529052
3-Methylthiomorpholine
CID 12600300
2-Methylthiomorpholine
CID 14953857
2-Propyl-1,3-thiazinane
CID 200393
2,6-Dimethylthiomorpholine
CID 103815
2-Ethylthiomorpholine
CID 21495166
Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88622901

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane?
The IUPAC name of 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane (CID 529054) is 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane?
The canonical SMILES for 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane is CCC1SC(C)NC(C)S1.
What is the InChIKey of 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane?
The InChIKey is BHTMBVSWSZTUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-4-7-9-5(2)8-6(3)10-7/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane?
2-ethyl-4,6-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 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 529054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).