2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium

C12H24O2PS+ — CID 12865666

IUPAC2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium
SMILESCC(C)C1OC(C(C)C)[P+](=S)C(C(C)C)O1
InChIInChI=1S/C12H24O2PS/c1-7(2)10-13-11(8(3)4)15(16)12(14-10)9(5)6/h7-12H,1-6H3/q+1
InChIKeyUHLVDACSHHGPJK-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.92
Rot. Bonds3

About 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium

2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium (PubChem CID 12865666) has the molecular formula C12H24O2PS+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium
PubChem CID12865666
Molecular FormulaC12H24O2PS+
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium
SMILESCC(C)C1OC(C(C)C)[P+](=S)C(C(C)C)O1
InChIInChI=1S/C12H24O2PS/c1-7(2)10-13-11(8(3)4)15(16)12(14-10)9(5)6/h7-12H,1-6H3/q+1
InChIKeyUHLVDACSHHGPJK-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.92
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

[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine
CID 10442253
5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane
CID 13054581
6-propan-2-yl-1,3,5-trioxane-2,4-diamine
CID 163802342
(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
CID 101050085
2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 177293546
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
CID 118673252
diethyl (4S,5S)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
CID 22852087
6,7-di(propan-2-yl)-3-oxabicyclo[3.2.0]hepta-1,4-diene
CID 139337753
[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid
CID 6918271
2-propan-2-yl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 171620800
4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66916406

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium?
The IUPAC name of 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium (CID 12865666) is 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium is CC(C)C1OC(C(C)C)[P+](=S)C(C(C)C)O1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium?
The InChIKey is UHLVDACSHHGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2PS/c1-7(2)10-13-11(8(3)4)15(16)12(14-10)9(5)6/h7-12H,1-6H3/q+1.
What are the key properties of 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium?
2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium has a molecular weight of 263.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium is sourced from PubChem (CID 12865666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).