(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

C10H11N2O3PS — CID 6506394

IUPAC(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
SMILESCOP(=S)(OC)O/N=C(/C#N)c1ccccc1
InChIInChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-
InChIKeyQQVNWNVUGXNUJN-BENRWUELSA-N
MW270.25 g/mol
LogP2.45
Rot. Bonds5

About (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide (PubChem CID 6506394) has the molecular formula C10H11N2O3PS and a molecular weight of 270.25 g/mol. Its IUPAC name is (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
PubChem CID6506394
Molecular FormulaC10H11N2O3PS
Molecular Weight270.25 g/mol
Exact Mass270.02
IUPAC Name(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
SMILESCOP(=S)(OC)O/N=C(/C#N)c1ccccc1
InChIInChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-
InChIKeyQQVNWNVUGXNUJN-BENRWUELSA-N
XLogP2.45
TPSA63.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide?
The IUPAC name of (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide (CID 6506394) is (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide.
What is the SMILES notation for (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide?
The canonical SMILES for (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide is COP(=S)(OC)O/N=C(/C#N)c1ccccc1.
What is the InChIKey of (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide?
The InChIKey is QQVNWNVUGXNUJN-BENRWUELSA-N. The full InChI is InChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-.
What are the key properties of (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide?
(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide has a molecular weight of 270.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide is sourced from PubChem (CID 6506394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).