2,4,6-trimethyl-1,3,5-dithiazinane

C6H13NS2 — CID 12518

IUPAC2,4,6-trimethyl-1,3,5-dithiazinane
SMILESCC1NC(C)SC(C)S1
InChIInChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
InChIKeyFBMVFHKKLDGLJA-UHFFFAOYSA-N
MW163.31 g/mol
LogP2.09
Rot. Bonds

About 2,4,6-trimethyl-1,3,5-dithiazinane

2,4,6-trimethyl-1,3,5-dithiazinane (PubChem CID 12518) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2,4,6-trimethyl-1,3,5-dithiazinane
PubChem CID12518
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name2,4,6-trimethyl-1,3,5-dithiazinane
SMILESCC1NC(C)SC(C)S1
InChIInChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
InChIKeyFBMVFHKKLDGLJA-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,3,5-dithiazinane?
The IUPAC name of 2,4,6-trimethyl-1,3,5-dithiazinane (CID 12518) is 2,4,6-trimethyl-1,3,5-dithiazinane.
What is the SMILES notation for 2,4,6-trimethyl-1,3,5-dithiazinane?
The canonical SMILES for 2,4,6-trimethyl-1,3,5-dithiazinane is CC1NC(C)SC(C)S1.
What is the InChIKey of 2,4,6-trimethyl-1,3,5-dithiazinane?
The InChIKey is FBMVFHKKLDGLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,3,5-dithiazinane?
2,4,6-trimethyl-1,3,5-dithiazinane has a molecular weight of 163.31 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 12518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).