diphenoxyphosphinothioylcyanamide

C13H11N2O2PS — CID 134907897

IUPACdiphenoxyphosphinothioylcyanamide
SMILESN#CNP(=S)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H11N2O2PS/c14-11-15-18(19,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,15,19)
InChIKeyOWBDNSQXCHEVQJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.44
Rot. Bonds5

About diphenoxyphosphinothioylcyanamide

diphenoxyphosphinothioylcyanamide (PubChem CID 134907897) has the molecular formula C13H11N2O2PS and a molecular weight of 290.28 g/mol. Its IUPAC name is diphenoxyphosphinothioylcyanamide.

Molecular Properties

Compound Namediphenoxyphosphinothioylcyanamide
PubChem CID134907897
Molecular FormulaC13H11N2O2PS
Molecular Weight290.28 g/mol
Exact Mass290.03
IUPAC Namediphenoxyphosphinothioylcyanamide
SMILESN#CNP(=S)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H11N2O2PS/c14-11-15-18(19,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,15,19)
InChIKeyOWBDNSQXCHEVQJ-UHFFFAOYSA-N
XLogP3.44
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphinothioylcyanamide?
The IUPAC name of diphenoxyphosphinothioylcyanamide (CID 134907897) is diphenoxyphosphinothioylcyanamide.
What is the SMILES notation for diphenoxyphosphinothioylcyanamide?
The canonical SMILES for diphenoxyphosphinothioylcyanamide is N#CNP(=S)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxyphosphinothioylcyanamide?
The InChIKey is OWBDNSQXCHEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O2PS/c14-11-15-18(19,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,15,19).
What are the key properties of diphenoxyphosphinothioylcyanamide?
diphenoxyphosphinothioylcyanamide has a molecular weight of 290.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphinothioylcyanamide is sourced from PubChem (CID 134907897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).