4-(4-aminophenyl)sulfanylaniline;dihydrochloride

C12H14Cl2N2S — CID 6452609

IUPAC4-(4-aminophenyl)sulfanylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2S.2ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H
InChIKeyJOFUXPJPDWYFAX-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.85
Rot. Bonds2

About 4-(4-aminophenyl)sulfanylaniline;dihydrochloride

4-(4-aminophenyl)sulfanylaniline;dihydrochloride (PubChem CID 6452609) has the molecular formula C12H14Cl2N2S and a molecular weight of 289.23 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanylaniline;dihydrochloride
PubChem CID6452609
Molecular FormulaC12H14Cl2N2S
Molecular Weight289.23 g/mol
Exact Mass288.03
IUPAC Name4-(4-aminophenyl)sulfanylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2S.2ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H
InChIKeyJOFUXPJPDWYFAX-UHFFFAOYSA-N
XLogP3.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanylaniline;dihydrochloride?
The IUPAC name of 4-(4-aminophenyl)sulfanylaniline;dihydrochloride (CID 6452609) is 4-(4-aminophenyl)sulfanylaniline;dihydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)sulfanylaniline;dihydrochloride?
The canonical SMILES for 4-(4-aminophenyl)sulfanylaniline;dihydrochloride is Cl.Cl.Nc1ccc(Sc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanylaniline;dihydrochloride?
The InChIKey is JOFUXPJPDWYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S.2ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H.
What are the key properties of 4-(4-aminophenyl)sulfanylaniline;dihydrochloride?
4-(4-aminophenyl)sulfanylaniline;dihydrochloride has a molecular weight of 289.23 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanylaniline;dihydrochloride is sourced from PubChem (CID 6452609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).