1-diethoxyphosphinothioyl-2-phenylhydrazine

C10H17N2O2PS — CID 14294530

IUPAC1-diethoxyphosphinothioyl-2-phenylhydrazine
SMILESCCOP(=S)(NNc1ccccc1)OCC
InChIInChI=1S/C10H17N2O2PS/c1-3-13-15(16,14-4-2)12-11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,12,16)
InChIKeyFSQJXEQBJBQLKR-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.90
Rot. Bonds7

About 1-diethoxyphosphinothioyl-2-phenylhydrazine

1-diethoxyphosphinothioyl-2-phenylhydrazine (PubChem CID 14294530) has the molecular formula C10H17N2O2PS and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-diethoxyphosphinothioyl-2-phenylhydrazine.

Molecular Properties

Compound Name1-diethoxyphosphinothioyl-2-phenylhydrazine
PubChem CID14294530
Molecular FormulaC10H17N2O2PS
Molecular Weight260.30 g/mol
Exact Mass260.07
IUPAC Name1-diethoxyphosphinothioyl-2-phenylhydrazine
SMILESCCOP(=S)(NNc1ccccc1)OCC
InChIInChI=1S/C10H17N2O2PS/c1-3-13-15(16,14-4-2)12-11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,12,16)
InChIKeyFSQJXEQBJBQLKR-UHFFFAOYSA-N
XLogP2.90
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.90
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

Phosphoramidic acid, phenyl-, diethyl ester
CID 15049
Phosphoramidic acid, phenyl-, dibutyl ester
CID 99244
O,O-Diethyl N-phenylphosphoramidothioate
CID 199100
Bis(1-methylethyl) N-phenylphosphoramidate
CID 121147
1-Diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine
CID 764021
3-Diethoxyphosphorylaniline
CID 284866
Diethyl anilinophosphite
CID 521336
Triethyl phenylimidophosphate
CID 305466
Phosphoramidic acid, phenyl-, dipropyl ester
CID 213361
Phosphoramidic acid, phenyl-, dipentyl ester
CID 3063864
Phosphoramidic acid, phenyl-, diisobutyl ester
CID 3065120
N-diethoxyphosphinothioyl-3-fluoroaniline
CID 778591

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphinothioyl-2-phenylhydrazine?
The IUPAC name of 1-diethoxyphosphinothioyl-2-phenylhydrazine (CID 14294530) is 1-diethoxyphosphinothioyl-2-phenylhydrazine.
What is the SMILES notation for 1-diethoxyphosphinothioyl-2-phenylhydrazine?
The canonical SMILES for 1-diethoxyphosphinothioyl-2-phenylhydrazine is CCOP(=S)(NNc1ccccc1)OCC.
What is the InChIKey of 1-diethoxyphosphinothioyl-2-phenylhydrazine?
The InChIKey is FSQJXEQBJBQLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O2PS/c1-3-13-15(16,14-4-2)12-11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 1-diethoxyphosphinothioyl-2-phenylhydrazine?
1-diethoxyphosphinothioyl-2-phenylhydrazine has a molecular weight of 260.30 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphinothioyl-2-phenylhydrazine is sourced from PubChem (CID 14294530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).