aminomethylphosphinothious acid

CH6NPS — CID 141043806

IUPACaminomethylphosphinothious acid
SMILESNCPS
InChIInChI=1S/CH6NPS/c2-1-3-4/h3-4H,1-2H2
InChIKeyMMPBUIVRNVWZRS-UHFFFAOYSA-N
MW95.11 g/mol
LogP0.43
Rot. Bonds1

About aminomethylphosphinothious acid

aminomethylphosphinothious acid (PubChem CID 141043806) has the molecular formula CH6NPS and a molecular weight of 95.11 g/mol. Its IUPAC name is aminomethylphosphinothious acid.

Molecular Properties

Compound Nameaminomethylphosphinothious acid
PubChem CID141043806
Molecular FormulaCH6NPS
Molecular Weight95.11 g/mol
Exact Mass95.00
IUPAC Nameaminomethylphosphinothious acid
SMILESNCPS
InChIInChI=1S/CH6NPS/c2-1-3-4/h3-4H,1-2H2
InChIKeyMMPBUIVRNVWZRS-UHFFFAOYSA-N
XLogP0.43
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.11
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminomethylphosphinothious acid?
The IUPAC name of aminomethylphosphinothious acid (CID 141043806) is aminomethylphosphinothious acid.
What is the SMILES notation for aminomethylphosphinothious acid?
The canonical SMILES for aminomethylphosphinothious acid is NCPS.
What is the InChIKey of aminomethylphosphinothious acid?
The InChIKey is MMPBUIVRNVWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NPS/c2-1-3-4/h3-4H,1-2H2.
What are the key properties of aminomethylphosphinothious acid?
aminomethylphosphinothious acid has a molecular weight of 95.11 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylphosphinothious acid is sourced from PubChem (CID 141043806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).