chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium

C4H9ClO2PS+ — CID 23431625

IUPACchloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium
SMILESCC(C)(C)OS[P+](=O)Cl
InChIInChI=1S/C4H9ClO2PS/c1-4(2,3)7-9-8(5)6/h1-3H3/q+1
InChIKeyAADWSTHGWMPAGQ-UHFFFAOYSA-N
MW187.61 g/mol
LogP3.35
Rot. Bonds2

About chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium

chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium (PubChem CID 23431625) has the molecular formula C4H9ClO2PS+ and a molecular weight of 187.61 g/mol. Its IUPAC name is chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium.

Molecular Properties

Compound Namechloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium
PubChem CID23431625
Molecular FormulaC4H9ClO2PS+
Molecular Weight187.61 g/mol
Exact Mass186.97
IUPAC Namechloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium
SMILESCC(C)(C)OS[P+](=O)Cl
InChIInChI=1S/C4H9ClO2PS/c1-4(2,3)7-9-8(5)6/h1-3H3/q+1
InChIKeyAADWSTHGWMPAGQ-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxysulfanyloxy-2-methylpropane
CID 169106502
chloromethane;silane
CID 174740640
2-methyl-2-phosphorosopropane
CID 12869886
hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium
CID 139581788
bis(methylsulfanyloxy)-oxophosphanium
CID 88668783
hydroxy-oxo-sulfanylphosphanium;1,1,1-trichloro-2-methylpropan-2-ol
CID 158091534
dihydroxy(oxo)phosphanium;(1,1,1-trichloro-2-methylpropan-2-yl) acetate
CID 157067106
pentakis(2-methyl-2-oxidooxypropane);vanadium
CID 173092145
chloro-oxo-phosphorosophosphanium
CID 173189474
CID 90308761
CID 90308761
fluoro-fluorooxy-oxophosphanium
CID 175159271
CID 161252103
CID 161252103

Frequently Asked Questions

What is the IUPAC name of chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium?
The IUPAC name of chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium (CID 23431625) is chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium.
What is the SMILES notation for chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium?
The canonical SMILES for chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium is CC(C)(C)OS[P+](=O)Cl.
What is the InChIKey of chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium?
The InChIKey is AADWSTHGWMPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2PS/c1-4(2,3)7-9-8(5)6/h1-3H3/q+1.
What are the key properties of chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium?
chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium has a molecular weight of 187.61 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium is sourced from PubChem (CID 23431625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).