N-diaminophosphinothioyl-4-phenoxyaniline

C12H14N3OPS — CID 24884705

IUPACN-diaminophosphinothioyl-4-phenoxyaniline
SMILESNP(N)(=S)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H14N3OPS/c13-17(14,18)15-10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H5,13,14,15,18)
InChIKeyJCTLGHPZOHHNMY-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.03
Rot. Bonds4

About N-diaminophosphinothioyl-4-phenoxyaniline

N-diaminophosphinothioyl-4-phenoxyaniline (PubChem CID 24884705) has the molecular formula C12H14N3OPS and a molecular weight of 279.31 g/mol. Its IUPAC name is N-diaminophosphinothioyl-4-phenoxyaniline.

Molecular Properties

Compound NameN-diaminophosphinothioyl-4-phenoxyaniline
PubChem CID24884705
Molecular FormulaC12H14N3OPS
Molecular Weight279.31 g/mol
Exact Mass279.06
IUPAC NameN-diaminophosphinothioyl-4-phenoxyaniline
SMILESNP(N)(=S)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H14N3OPS/c13-17(14,18)15-10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H5,13,14,15,18)
InChIKeyJCTLGHPZOHHNMY-UHFFFAOYSA-N
XLogP3.03
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-diaminophosphinothioyl-4-phenoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-1-methyl-3-(4-phenoxyphenyl)thiourea
CID 86133319
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
4-phenoxyaniline
CID 158390066
4-phenoxy-N-trimethylsilylaniline
CID 139791988
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
N-(2,2-dimethylbutyl)-4-phenoxyaniline
CID 168720380

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphinothioyl-4-phenoxyaniline?
The IUPAC name of N-diaminophosphinothioyl-4-phenoxyaniline (CID 24884705) is N-diaminophosphinothioyl-4-phenoxyaniline.
What is the SMILES notation for N-diaminophosphinothioyl-4-phenoxyaniline?
The canonical SMILES for N-diaminophosphinothioyl-4-phenoxyaniline is NP(N)(=S)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-diaminophosphinothioyl-4-phenoxyaniline?
The InChIKey is JCTLGHPZOHHNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3OPS/c13-17(14,18)15-10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H5,13,14,15,18).
What are the key properties of N-diaminophosphinothioyl-4-phenoxyaniline?
N-diaminophosphinothioyl-4-phenoxyaniline has a molecular weight of 279.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphinothioyl-4-phenoxyaniline is sourced from PubChem (CID 24884705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).