1-dimethoxyphosphinothioyl-2-phenylhydrazine

C8H13N2O2PS — CID 117062447

IUPAC1-dimethoxyphosphinothioyl-2-phenylhydrazine
SMILESCOP(=S)(NNc1ccccc1)OC
InChIInChI=1S/C8H13N2O2PS/c1-11-13(14,12-2)10-9-8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,14)
InChIKeyNEVRIWDUBLJIDM-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.12
Rot. Bonds5

About 1-dimethoxyphosphinothioyl-2-phenylhydrazine

1-dimethoxyphosphinothioyl-2-phenylhydrazine (PubChem CID 117062447) has the molecular formula C8H13N2O2PS and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-dimethoxyphosphinothioyl-2-phenylhydrazine.

Molecular Properties

Compound Name1-dimethoxyphosphinothioyl-2-phenylhydrazine
PubChem CID117062447
Molecular FormulaC8H13N2O2PS
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name1-dimethoxyphosphinothioyl-2-phenylhydrazine
SMILESCOP(=S)(NNc1ccccc1)OC
InChIInChI=1S/C8H13N2O2PS/c1-11-13(14,12-2)10-9-8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,14)
InChIKeyNEVRIWDUBLJIDM-UHFFFAOYSA-N
XLogP2.12
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phenylhydrazine
CID 7516
Phenylhydrazine hydrochloride
CID 60962
O,O-Diethyl N-phenylphosphoramidothioate
CID 199100
1-Methyl-2-phenylhydrazine
CID 10197813
Dimethyl (3-aminophenyl)phosphonate
CID 13348403
Phosphonic acid, (p-hydrazinophenyl)-
CID 3062484
N-Dimethoxyphosphorylaniline
CID 185901
Diethyl anilinophosphite
CID 521336
Amino(phenyl)azanium chloride
CID 14325810
methyl N-anilinocarbamate
CID 255996
N-diethoxyphosphinothioyl-3-fluoroaniline
CID 778591
Phenylhydrazinopropan
CID 52792

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphinothioyl-2-phenylhydrazine?
The IUPAC name of 1-dimethoxyphosphinothioyl-2-phenylhydrazine (CID 117062447) is 1-dimethoxyphosphinothioyl-2-phenylhydrazine.
What is the SMILES notation for 1-dimethoxyphosphinothioyl-2-phenylhydrazine?
The canonical SMILES for 1-dimethoxyphosphinothioyl-2-phenylhydrazine is COP(=S)(NNc1ccccc1)OC.
What is the InChIKey of 1-dimethoxyphosphinothioyl-2-phenylhydrazine?
The InChIKey is NEVRIWDUBLJIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O2PS/c1-11-13(14,12-2)10-9-8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,14).
What are the key properties of 1-dimethoxyphosphinothioyl-2-phenylhydrazine?
1-dimethoxyphosphinothioyl-2-phenylhydrazine has a molecular weight of 232.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphinothioyl-2-phenylhydrazine is sourced from PubChem (CID 117062447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).