2-(diphenylphosphinothioylamino)acetic acid

C14H14NO2PS — CID 13241809

IUPAC2-(diphenylphosphinothioylamino)acetic acid
SMILESO=C(O)CNP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO2PS/c16-14(17)11-15-18(19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,19)(H,16,17)
InChIKeyHAVWSDKPPZJQKB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.71
Rot. Bonds5

About 2-(diphenylphosphinothioylamino)acetic acid

2-(diphenylphosphinothioylamino)acetic acid (PubChem CID 13241809) has the molecular formula C14H14NO2PS and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(diphenylphosphinothioylamino)acetic acid.

Molecular Properties

Compound Name2-(diphenylphosphinothioylamino)acetic acid
PubChem CID13241809
Molecular FormulaC14H14NO2PS
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name2-(diphenylphosphinothioylamino)acetic acid
SMILESO=C(O)CNP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO2PS/c16-14(17)11-15-18(19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,19)(H,16,17)
InChIKeyHAVWSDKPPZJQKB-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphinothioylamino)acetic acid?
The IUPAC name of 2-(diphenylphosphinothioylamino)acetic acid (CID 13241809) is 2-(diphenylphosphinothioylamino)acetic acid.
What is the SMILES notation for 2-(diphenylphosphinothioylamino)acetic acid?
The canonical SMILES for 2-(diphenylphosphinothioylamino)acetic acid is O=C(O)CNP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphinothioylamino)acetic acid?
The InChIKey is HAVWSDKPPZJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO2PS/c16-14(17)11-15-18(19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,19)(H,16,17).
What are the key properties of 2-(diphenylphosphinothioylamino)acetic acid?
2-(diphenylphosphinothioylamino)acetic acid has a molecular weight of 291.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphinothioylamino)acetic acid is sourced from PubChem (CID 13241809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).