N,4-dimethyl-3-phosphanylsulfanylaniline

C8H12NPS — CID 144897476

IUPACN,4-dimethyl-3-phosphanylsulfanylaniline
SMILESCNc1ccc(C)c(SP)c1
InChIInChI=1S/C8H12NPS/c1-6-3-4-7(9-2)5-8(6)11-10/h3-5,9H,10H2,1-2H3
InChIKeyQYMBIAHMNJWYJK-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.92
Rot. Bonds2

About N,4-dimethyl-3-phosphanylsulfanylaniline

N,4-dimethyl-3-phosphanylsulfanylaniline (PubChem CID 144897476) has the molecular formula C8H12NPS and a molecular weight of 185.23 g/mol. Its IUPAC name is N,4-dimethyl-3-phosphanylsulfanylaniline.

Molecular Properties

Compound NameN,4-dimethyl-3-phosphanylsulfanylaniline
PubChem CID144897476
Molecular FormulaC8H12NPS
Molecular Weight185.23 g/mol
Exact Mass185.04
IUPAC NameN,4-dimethyl-3-phosphanylsulfanylaniline
SMILESCNc1ccc(C)c(SP)c1
InChIInChI=1S/C8H12NPS/c1-6-3-4-7(9-2)5-8(6)11-10/h3-5,9H,10H2,1-2H3
InChIKeyQYMBIAHMNJWYJK-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-phosphanylsulfanylaniline?
The IUPAC name of N,4-dimethyl-3-phosphanylsulfanylaniline (CID 144897476) is N,4-dimethyl-3-phosphanylsulfanylaniline.
What is the SMILES notation for N,4-dimethyl-3-phosphanylsulfanylaniline?
The canonical SMILES for N,4-dimethyl-3-phosphanylsulfanylaniline is CNc1ccc(C)c(SP)c1.
What is the InChIKey of N,4-dimethyl-3-phosphanylsulfanylaniline?
The InChIKey is QYMBIAHMNJWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NPS/c1-6-3-4-7(9-2)5-8(6)11-10/h3-5,9H,10H2,1-2H3.
What are the key properties of N,4-dimethyl-3-phosphanylsulfanylaniline?
N,4-dimethyl-3-phosphanylsulfanylaniline has a molecular weight of 185.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-phosphanylsulfanylaniline is sourced from PubChem (CID 144897476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).