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'}

Analyze 1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).