5-ethyl-1,3,5-dithiazinane

C5H11NS2 — CID 2724694

IUPAC5-ethyl-1,3,5-dithiazinane
SMILESCCN1CSCSC1
InChIInChI=1S/C5H11NS2/c1-2-6-3-7-5-8-4-6/h2-5H2,1H3
InChIKeyORLVHJUBGKRLLB-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.66
Rot. Bonds1

About 5-ethyl-1,3,5-dithiazinane

5-ethyl-1,3,5-dithiazinane (PubChem CID 2724694) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is 5-ethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-ethyl-1,3,5-dithiazinane
PubChem CID2724694
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Name5-ethyl-1,3,5-dithiazinane
SMILESCCN1CSCSC1
InChIInChI=1S/C5H11NS2/c1-2-6-3-7-5-8-4-6/h2-5H2,1H3
InChIKeyORLVHJUBGKRLLB-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,5-dithiazinane?
The IUPAC name of 5-ethyl-1,3,5-dithiazinane (CID 2724694) is 5-ethyl-1,3,5-dithiazinane.
What is the SMILES notation for 5-ethyl-1,3,5-dithiazinane?
The canonical SMILES for 5-ethyl-1,3,5-dithiazinane is CCN1CSCSC1.
What is the InChIKey of 5-ethyl-1,3,5-dithiazinane?
The InChIKey is ORLVHJUBGKRLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-2-6-3-7-5-8-4-6/h2-5H2,1H3.
What are the key properties of 5-ethyl-1,3,5-dithiazinane?
5-ethyl-1,3,5-dithiazinane has a molecular weight of 149.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,5-dithiazinane is sourced from PubChem (CID 2724694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).