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

C8H9ClNO5PS — CID 10372

IUPAC(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKeyNZNRRXXETLSZRO-UHFFFAOYSA-N
MW297.66 g/mol
LogP3.14
Rot. Bonds5

About (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 10372) has the molecular formula C8H9ClNO5PS and a molecular weight of 297.66 g/mol. Its IUPAC name is (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
PubChem CID10372
Molecular FormulaC8H9ClNO5PS
Molecular Weight297.66 g/mol
Exact Mass296.96
IUPAC Name(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKeyNZNRRXXETLSZRO-UHFFFAOYSA-N
XLogP3.14
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 53.14
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'}

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Related Compounds

Parathion
CID 991
Paraoxon
CID 9395
Methyl Parathion
CID 4130
Ethyl p-nitrophenyl benzenethiophosphonate
CID 16421
Dicapthon
CID 17168
Paraoxon methyl
CID 13708
Phosphonothioic acid, methyl-, O-(4-nitrophenyl) O-phenyl ester
CID 17571
Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester
CID 67599
3-Chloro-4-nitrosophenol
CID 99848
3-Chloro-4-nitrophenol
CID 10283
Ethyl 4-nitrophenyl methylphosphonate
CID 151144
Phosnichlor
CID 201362

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane (CID 10372) is (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane is COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is NZNRRXXETLSZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3.
What are the key properties of (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 297.66 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 10372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).