dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane

C8H10NO5PS — CID 4130

IUPACdimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChIKeyRLBIQVVOMOPOHC-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.49
Rot. Bonds5

About dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane

dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 4130) has the molecular formula C8H10NO5PS and a molecular weight of 263.21 g/mol. Its IUPAC name is dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
PubChem CID4130
Molecular FormulaC8H10NO5PS
Molecular Weight263.21 g/mol
Exact Mass263.00
IUPAC Namedimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChIKeyRLBIQVVOMOPOHC-UHFFFAOYSA-N
XLogP2.49
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane 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

4-Nitrophenol
CID 980
Parathion
CID 991
Paraoxon
CID 9395
Ethyl p-nitrophenyl benzenethiophosphonate
CID 16421
Fenitrothion
CID 31200
Fenitrooxon
CID 16738
Chlorthion
CID 10372
Dicapthon
CID 17168
Paraoxon methyl
CID 13708
4-Nitrophenyl Phosphate
CID 378
Bis(p-nitrophenyl) phosphate
CID 255
4-Nitroanisole
CID 7485

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane (CID 4130) is dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane is COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is RLBIQVVOMOPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3.
What are the key properties of dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane?
dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 263.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 4130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).