4-dithiophen-2-ylphosphanylaniline

C14H12NPS2 — CID 163208691

IUPAC4-dithiophen-2-ylphosphanylaniline
SMILESNc1ccc(P(c2cccs2)c2cccs2)cc1
InChIInChI=1S/C14H12NPS2/c15-11-5-7-12(8-6-11)16(13-3-1-9-17-13)14-4-2-10-18-14/h1-10H,15H2
InChIKeyPNGITADVEOWLIL-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.15
Rot. Bonds3

About 4-dithiophen-2-ylphosphanylaniline

4-dithiophen-2-ylphosphanylaniline (PubChem CID 163208691) has the molecular formula C14H12NPS2 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-dithiophen-2-ylphosphanylaniline.

Molecular Properties

Compound Name4-dithiophen-2-ylphosphanylaniline
PubChem CID163208691
Molecular FormulaC14H12NPS2
Molecular Weight289.37 g/mol
Exact Mass289.01
IUPAC Name4-dithiophen-2-ylphosphanylaniline
SMILESNc1ccc(P(c2cccs2)c2cccs2)cc1
InChIInChI=1S/C14H12NPS2/c15-11-5-7-12(8-6-11)16(13-3-1-9-17-13)14-4-2-10-18-14/h1-10H,15H2
InChIKeyPNGITADVEOWLIL-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
CID 155487514
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
(2-methylphenyl)-phenyl-thiophen-2-ylphosphane;rhodium
CID 158043276
dibromo(thiophen-2-yl)phosphane
CID 14906519
4-(4-thiophen-2-ylphenoxy)aniline
CID 16768553
N-[(4-aminophenyl)methyl]thiophen-2-amine
CID 115212336
copper(1+);triphenylphosphane;bromide
CID 87491658
ethane;thiophen-2-amine
CID 19844309
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
4-thiophen-2-ylbenzene-1,3-diamine
CID 22644265
3-bromo-4-(thiophen-2-ylsulfinylmethyl)aniline
CID 61287616
4-diphenylphosphanylbenzene-1,2-diamine
CID 170557408

Frequently Asked Questions

What is the IUPAC name of 4-dithiophen-2-ylphosphanylaniline?
The IUPAC name of 4-dithiophen-2-ylphosphanylaniline (CID 163208691) is 4-dithiophen-2-ylphosphanylaniline.
What is the SMILES notation for 4-dithiophen-2-ylphosphanylaniline?
The canonical SMILES for 4-dithiophen-2-ylphosphanylaniline is Nc1ccc(P(c2cccs2)c2cccs2)cc1.
What is the InChIKey of 4-dithiophen-2-ylphosphanylaniline?
The InChIKey is PNGITADVEOWLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NPS2/c15-11-5-7-12(8-6-11)16(13-3-1-9-17-13)14-4-2-10-18-14/h1-10H,15H2.
What are the key properties of 4-dithiophen-2-ylphosphanylaniline?
4-dithiophen-2-ylphosphanylaniline has a molecular weight of 289.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dithiophen-2-ylphosphanylaniline is sourced from PubChem (CID 163208691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).