[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene

C7H12N3OPS — CID 12736192

IUPAC[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene
SMILESCN(N)P(N)(=S)Oc1ccccc1
InChIInChI=1S/C7H12N3OPS/c1-10(8)12(9,13)11-7-5-3-2-4-6-7/h2-6H,8H2,1H3,(H2,9,13)
InChIKeyYWSYIHSYBGIRTN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.05
Rot. Bonds3

About [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene

[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene (PubChem CID 12736192) has the molecular formula C7H12N3OPS and a molecular weight of 217.23 g/mol. Its IUPAC name is [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene.

Molecular Properties

Compound Name[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene
PubChem CID12736192
Molecular FormulaC7H12N3OPS
Molecular Weight217.23 g/mol
Exact Mass217.04
IUPAC Name[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene
SMILESCN(N)P(N)(=S)Oc1ccccc1
InChIInChI=1S/C7H12N3OPS/c1-10(8)12(9,13)11-7-5-3-2-4-6-7/h2-6H,8H2,1H3,(H2,9,13)
InChIKeyYWSYIHSYBGIRTN-UHFFFAOYSA-N
XLogP1.05
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[amino(methyl)phosphoryl]oxybenzene
CID 11864135
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
diphenoxy-sulfanylidene-sulfido-λ5-phosphane
CID 3553797
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047
1,2-dimethyl-1,2-diphenoxyhydrazine;hydrochloride
CID 172705670
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
1,4-bis(diaminophosphinothioyloxy)benzene
CID 54536312
phenoxy-phenyl-silyl-sulfanylidene-λ5-phosphane
CID 174962173
N-diaminophosphinothioyl-4-phenoxyaniline
CID 24884705
N,N-bis(dimethylamino)-phenoxyphosphonamidic acid
CID 154221653

Frequently Asked Questions

What is the IUPAC name of [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene?
The IUPAC name of [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene (CID 12736192) is [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene.
What is the SMILES notation for [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene?
The canonical SMILES for [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene is CN(N)P(N)(=S)Oc1ccccc1.
What is the InChIKey of [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene?
The InChIKey is YWSYIHSYBGIRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3OPS/c1-10(8)12(9,13)11-7-5-3-2-4-6-7/h2-6H,8H2,1H3,(H2,9,13).
What are the key properties of [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene?
[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene has a molecular weight of 217.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[amino(methyl)amino]phosphinothioyl]oxybenzene is sourced from PubChem (CID 12736192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).