[benzyl(hydroxymethyl)phosphinothioyl]methanol

C9H13O2PS — CID 15900974

IUPAC[benzyl(hydroxymethyl)phosphinothioyl]methanol
SMILESOCP(=S)(CO)Cc1ccccc1
InChIInChI=1S/C9H13O2PS/c10-7-12(13,8-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeySFKJZOMHUNZOFZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.57
Rot. Bonds4

About [benzyl(hydroxymethyl)phosphinothioyl]methanol

[benzyl(hydroxymethyl)phosphinothioyl]methanol (PubChem CID 15900974) has the molecular formula C9H13O2PS and a molecular weight of 216.24 g/mol. Its IUPAC name is [benzyl(hydroxymethyl)phosphinothioyl]methanol.

Molecular Properties

Compound Name[benzyl(hydroxymethyl)phosphinothioyl]methanol
PubChem CID15900974
Molecular FormulaC9H13O2PS
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC Name[benzyl(hydroxymethyl)phosphinothioyl]methanol
SMILESOCP(=S)(CO)Cc1ccccc1
InChIInChI=1S/C9H13O2PS/c10-7-12(13,8-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeySFKJZOMHUNZOFZ-UHFFFAOYSA-N
XLogP1.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [benzyl(hydroxymethyl)phosphinothioyl]methanol?
The IUPAC name of [benzyl(hydroxymethyl)phosphinothioyl]methanol (CID 15900974) is [benzyl(hydroxymethyl)phosphinothioyl]methanol.
What is the SMILES notation for [benzyl(hydroxymethyl)phosphinothioyl]methanol?
The canonical SMILES for [benzyl(hydroxymethyl)phosphinothioyl]methanol is OCP(=S)(CO)Cc1ccccc1.
What is the InChIKey of [benzyl(hydroxymethyl)phosphinothioyl]methanol?
The InChIKey is SFKJZOMHUNZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2PS/c10-7-12(13,8-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of [benzyl(hydroxymethyl)phosphinothioyl]methanol?
[benzyl(hydroxymethyl)phosphinothioyl]methanol has a molecular weight of 216.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(hydroxymethyl)phosphinothioyl]methanol is sourced from PubChem (CID 15900974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).