chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane

C4H10ClO2PS — CID 150961079

IUPACchloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)OP(O)(=S)Cl
InChIInChI=1S/C4H10ClO2PS/c1-4(2,3)7-8(5,6)9/h1-3H3,(H,6,9)
InChIKeyLMCHFRUFDWGHSD-UHFFFAOYSA-N
MW188.62 g/mol
LogP2.26
Rot. Bonds1

About chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane

chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane (PubChem CID 150961079) has the molecular formula C4H10ClO2PS and a molecular weight of 188.62 g/mol. Its IUPAC name is chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
PubChem CID150961079
Molecular FormulaC4H10ClO2PS
Molecular Weight188.62 g/mol
Exact Mass187.98
IUPAC Namechloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)OP(O)(=S)Cl
InChIInChI=1S/C4H10ClO2PS/c1-4(2,3)7-8(5,6)9/h1-3H3,(H,6,9)
InChIKeyLMCHFRUFDWGHSD-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131873404
CID 131873404
dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane
CID 58221077
zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
CID 87788943
tert-butyl ethynyl hydrogen phosphate
CID 175106066
tert-butyl methoxy hydrogen phosphate
CID 172731458
tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87476242
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
CID 87622493
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859

Frequently Asked Questions

What is the IUPAC name of chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane (CID 150961079) is chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane is CC(C)(C)OP(O)(=S)Cl.
What is the InChIKey of chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
The InChIKey is LMCHFRUFDWGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO2PS/c1-4(2,3)7-8(5,6)9/h1-3H3,(H,6,9).
What are the key properties of chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane has a molecular weight of 188.62 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 150961079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).