2,4-dibutyl-6-methyl-1,3,5-dithiazinane

C12H25NS2 — CID 529053

IUPAC2,4-dibutyl-6-methyl-1,3,5-dithiazinane
SMILESCCCCC1NC(C)SC(CCCC)S1
InChIInChI=1S/C12H25NS2/c1-4-6-8-11-13-10(3)14-12(15-11)9-7-5-2/h10-13H,4-9H2,1-3H3
InChIKeyFUHPSDAXOVSFJY-UHFFFAOYSA-N
MW247.47 g/mol
LogP4.43
Rot. Bonds6

About 2,4-dibutyl-6-methyl-1,3,5-dithiazinane

2,4-dibutyl-6-methyl-1,3,5-dithiazinane (PubChem CID 529053) has the molecular formula C12H25NS2 and a molecular weight of 247.47 g/mol. Its IUPAC name is 2,4-dibutyl-6-methyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2,4-dibutyl-6-methyl-1,3,5-dithiazinane
PubChem CID529053
Molecular FormulaC12H25NS2
Molecular Weight247.47 g/mol
Exact Mass247.14
IUPAC Name2,4-dibutyl-6-methyl-1,3,5-dithiazinane
SMILESCCCCC1NC(C)SC(CCCC)S1
InChIInChI=1S/C12H25NS2/c1-4-6-8-11-13-10(3)14-12(15-11)9-7-5-2/h10-13H,4-9H2,1-3H3
InChIKeyFUHPSDAXOVSFJY-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-6-methyl-1,3,5-dithiazinane?
The IUPAC name of 2,4-dibutyl-6-methyl-1,3,5-dithiazinane (CID 529053) is 2,4-dibutyl-6-methyl-1,3,5-dithiazinane.
What is the SMILES notation for 2,4-dibutyl-6-methyl-1,3,5-dithiazinane?
The canonical SMILES for 2,4-dibutyl-6-methyl-1,3,5-dithiazinane is CCCCC1NC(C)SC(CCCC)S1.
What is the InChIKey of 2,4-dibutyl-6-methyl-1,3,5-dithiazinane?
The InChIKey is FUHPSDAXOVSFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS2/c1-4-6-8-11-13-10(3)14-12(15-11)9-7-5-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2,4-dibutyl-6-methyl-1,3,5-dithiazinane?
2,4-dibutyl-6-methyl-1,3,5-dithiazinane has a molecular weight of 247.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-6-methyl-1,3,5-dithiazinane is sourced from PubChem (CID 529053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).