N-dithiophen-2-ylphosphorylaniline

C14H12NOPS2 — CID 118536976

IUPACN-dithiophen-2-ylphosphorylaniline
SMILESO=P(Nc1ccccc1)(c1cccs1)c1cccs1
InChIInChI=1S/C14H12NOPS2/c16-17(13-8-4-10-18-13,14-9-5-11-19-14)15-12-6-2-1-3-7-12/h1-11H,(H,15,16)
InChIKeyLLIVZNKFDQIPSJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.15
Rot. Bonds4

About N-dithiophen-2-ylphosphorylaniline

N-dithiophen-2-ylphosphorylaniline (PubChem CID 118536976) has the molecular formula C14H12NOPS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is N-dithiophen-2-ylphosphorylaniline.

Molecular Properties

Compound NameN-dithiophen-2-ylphosphorylaniline
PubChem CID118536976
Molecular FormulaC14H12NOPS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC NameN-dithiophen-2-ylphosphorylaniline
SMILESO=P(Nc1ccccc1)(c1cccs1)c1cccs1
InChIInChI=1S/C14H12NOPS2/c16-17(13-8-4-10-18-13,14-9-5-11-19-14)15-12-6-2-1-3-7-12/h1-11H,(H,15,16)
InChIKeyLLIVZNKFDQIPSJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenyl(thiophen-2-yl)phosphinic acid
CID 134117623
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
4-(diphenylphosphorylamino)phenol
CID 21072103
4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
2-[but-3-ynoxy(phenyl)phosphoryl]thiophene
CID 134117658
N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
N-phenyl-1-thiophen-2-ylmethanesulfonamide
CID 67649558
N-(anilinocarbamothioyl)thiophene-2-carboxamide
CID 17100252
2-methylthiophene;hydroiodide
CID 173425781
1-phenyl-3-thiophen-2-ylthiourea
CID 22411779

Frequently Asked Questions

What is the IUPAC name of N-dithiophen-2-ylphosphorylaniline?
The IUPAC name of N-dithiophen-2-ylphosphorylaniline (CID 118536976) is N-dithiophen-2-ylphosphorylaniline.
What is the SMILES notation for N-dithiophen-2-ylphosphorylaniline?
The canonical SMILES for N-dithiophen-2-ylphosphorylaniline is O=P(Nc1ccccc1)(c1cccs1)c1cccs1.
What is the InChIKey of N-dithiophen-2-ylphosphorylaniline?
The InChIKey is LLIVZNKFDQIPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NOPS2/c16-17(13-8-4-10-18-13,14-9-5-11-19-14)15-12-6-2-1-3-7-12/h1-11H,(H,15,16).
What are the key properties of N-dithiophen-2-ylphosphorylaniline?
N-dithiophen-2-ylphosphorylaniline has a molecular weight of 305.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dithiophen-2-ylphosphorylaniline is sourced from PubChem (CID 118536976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).