N-[methylamino(phenyl)phosphinothioyl]methanamine

C8H13N2PS — CID 13417536

IUPACN-[methylamino(phenyl)phosphinothioyl]methanamine
SMILESCNP(=S)(NC)c1ccccc1
InChIInChI=1S/C8H13N2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,12)
InChIKeyAGXSSJUSOMYEBX-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.06
Rot. Bonds3

About N-[methylamino(phenyl)phosphinothioyl]methanamine

N-[methylamino(phenyl)phosphinothioyl]methanamine (PubChem CID 13417536) has the molecular formula C8H13N2PS and a molecular weight of 200.25 g/mol. Its IUPAC name is N-[methylamino(phenyl)phosphinothioyl]methanamine.

Molecular Properties

Compound NameN-[methylamino(phenyl)phosphinothioyl]methanamine
PubChem CID13417536
Molecular FormulaC8H13N2PS
Molecular Weight200.25 g/mol
Exact Mass200.05
IUPAC NameN-[methylamino(phenyl)phosphinothioyl]methanamine
SMILESCNP(=S)(NC)c1ccccc1
InChIInChI=1S/C8H13N2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,12)
InChIKeyAGXSSJUSOMYEBX-UHFFFAOYSA-N
XLogP1.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[methylamino(phenyl)phosphinothioyl]methanamine?
The IUPAC name of N-[methylamino(phenyl)phosphinothioyl]methanamine (CID 13417536) is N-[methylamino(phenyl)phosphinothioyl]methanamine.
What is the SMILES notation for N-[methylamino(phenyl)phosphinothioyl]methanamine?
The canonical SMILES for N-[methylamino(phenyl)phosphinothioyl]methanamine is CNP(=S)(NC)c1ccccc1.
What is the InChIKey of N-[methylamino(phenyl)phosphinothioyl]methanamine?
The InChIKey is AGXSSJUSOMYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,12).
What are the key properties of N-[methylamino(phenyl)phosphinothioyl]methanamine?
N-[methylamino(phenyl)phosphinothioyl]methanamine has a molecular weight of 200.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylamino(phenyl)phosphinothioyl]methanamine is sourced from PubChem (CID 13417536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).