(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium

C11H24PS3+ — CID 10365525

IUPAC(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium
SMILESCS[P+](C)(C)C1SCC(C(C)(C)C)CS1
InChIInChI=1S/C11H24PS3/c1-11(2,3)9-7-14-10(15-8-9)12(4,5)13-6/h9-10H,7-8H2,1-6H3/q+1
InChIKeyFPKUWDVJDGAMCU-UHFFFAOYSA-N
MW283.49 g/mol
LogP4.97
Rot. Bonds2

About (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium

(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium (PubChem CID 10365525) has the molecular formula C11H24PS3+ and a molecular weight of 283.49 g/mol. Its IUPAC name is (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium.

Molecular Properties

Compound Name(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium
PubChem CID10365525
Molecular FormulaC11H24PS3+
Molecular Weight283.49 g/mol
Exact Mass283.08
IUPAC Name(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium
SMILESCS[P+](C)(C)C1SCC(C(C)(C)C)CS1
InChIInChI=1S/C11H24PS3/c1-11(2,3)9-7-14-10(15-8-9)12(4,5)13-6/h9-10H,7-8H2,1-6H3/q+1
InChIKeyFPKUWDVJDGAMCU-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenylphosphanium chloride
CID 10431723
(5-tert-butyl-1,3-dithian-2-yl)-triphenylphosphanium chloride
CID 10254249
5-tert-butyl-2-prop-1-ynyl-1,3-dithiane
CID 22421009
5-tert-butyl-2-[2-(1-methylcyclopropyl)ethyl]-1,3-dithiane
CID 22421093
(3S,5R)-3,5-ditert-butylthiane
CID 71358564
(3R,5R)-3,5-ditert-butylthiane
CID 71394451
1-tert-butyl-4-[4-methylsulfanyl-3-(trifluoromethyl)pentan-2-yl]oxycyclohexane
CID 90728849
tert-butylcyclohexane;scandium
CID 163823228
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
1,4-ditert-butylcycloheptane
CID 58579546
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
2,4-ditert-butylthiane
CID 158872945

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium?
The IUPAC name of (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium (CID 10365525) is (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium.
What is the SMILES notation for (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium?
The canonical SMILES for (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium is CS[P+](C)(C)C1SCC(C(C)(C)C)CS1.
What is the InChIKey of (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium?
The InChIKey is FPKUWDVJDGAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24PS3/c1-11(2,3)9-7-14-10(15-8-9)12(4,5)13-6/h9-10H,7-8H2,1-6H3/q+1.
What are the key properties of (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium?
(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium has a molecular weight of 283.49 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium is sourced from PubChem (CID 10365525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).