2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane

C9H19NS2 — CID 88622901

IUPAC2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
SMILESCCC(C)C1SC(C)NC(C)S1
InChIInChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChIKeyBLDFHTPIEUHZJY-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.12
Rot. Bonds2

About 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane

2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane (PubChem CID 88622901) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
PubChem CID88622901
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
SMILESCCC(C)C1SC(C)NC(C)S1
InChIInChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChIKeyBLDFHTPIEUHZJY-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
The IUPAC name of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane (CID 88622901) is 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
The canonical SMILES for 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane is CCC(C)C1SC(C)NC(C)S1.
What is the InChIKey of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
The InChIKey is BLDFHTPIEUHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane has a molecular weight of 205.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 88622901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).