1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol

C5H13O4PS — CID 141146063

IUPAC1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)OP(O)(O)=S
InChIInChI=1S/C5H13O4PS/c1-5(2,3)4(6)9-10(7,8)11/h4,6H,1-3H3,(H2,7,8,11)
InChIKeyUDCDDRABDKITEV-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.58
Rot. Bonds2

About 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol

1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol (PubChem CID 141146063) has the molecular formula C5H13O4PS and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol
PubChem CID141146063
Molecular FormulaC5H13O4PS
Molecular Weight200.20 g/mol
Exact Mass200.03
IUPAC Name1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)OP(O)(O)=S
InChIInChI=1S/C5H13O4PS/c1-5(2,3)4(6)9-10(7,8)11/h4,6H,1-3H3,(H2,7,8,11)
InChIKeyUDCDDRABDKITEV-UHFFFAOYSA-N
XLogP0.58
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dihydroxyphosphinothioyloxy-3-methylbutanenitrile
CID 172687630
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
CID 10241836
tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87476242
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
bis(2,2,3,4,4-pentamethylpentan-3-ol);bis(2,2,4,4-tetramethylpentan-3-ol);bis(2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate)
CID 158273708
CID 173075577
CID 173075577
1-(2-aminoethoxy)-2,2-dimethylpropan-1-ol
CID 123688713
chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
CID 150961079
3-dimethylsilyloxy-4,4-dimethylpentan-2-one
CID 173030101
(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate
CID 22884213
dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane
CID 58221077
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930

Frequently Asked Questions

What is the IUPAC name of 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol (CID 141146063) is 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)OP(O)(O)=S.
What is the InChIKey of 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol?
The InChIKey is UDCDDRABDKITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4PS/c1-5(2,3)4(6)9-10(7,8)11/h4,6H,1-3H3,(H2,7,8,11).
What are the key properties of 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol?
1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol has a molecular weight of 200.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 141146063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).