1,2-Bis(2-aminophenylthio)ethane

C14H16N2S2 — CID 92343

IUPAC2-[2-(2-aminophenyl)sulfanylethylsulfanyl]aniline
SMILESC1=CC=C(C(=C1)N)SCCSC2=CC=CC=C2N
InChIInChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
InChIKeyBSYVFGQQLJNJJG-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.30
Rot. Bonds5

About 1,2-Bis(2-aminophenylthio)ethane

1,2-Bis(2-aminophenylthio)ethane (PubChem CID 92343) has the molecular formula C14H16N2S2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)sulfanylethylsulfanyl]aniline.

Molecular Properties

Compound Name1,2-Bis(2-aminophenylthio)ethane
PubChem CID92343
Molecular FormulaC14H16N2S2
Molecular Weight276.40 g/mol
Exact Mass276.08
IUPAC Name2-[2-(2-aminophenyl)sulfanylethylsulfanyl]aniline
SMILESC1=CC=C(C(=C1)N)SCCSC2=CC=CC=C2N
InChIInChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
InChIKeyBSYVFGQQLJNJJG-UHFFFAOYSA-N
XLogP3.30
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity214

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-Bis(2-aminophenylthio)ethane?
The IUPAC name of 1,2-Bis(2-aminophenylthio)ethane (CID 92343) is 2-[2-(2-aminophenyl)sulfanylethylsulfanyl]aniline.
What is the SMILES notation for 1,2-Bis(2-aminophenylthio)ethane?
The canonical SMILES for 1,2-Bis(2-aminophenylthio)ethane is C1=CC=C(C(=C1)N)SCCSC2=CC=CC=C2N.
What is the InChIKey of 1,2-Bis(2-aminophenylthio)ethane?
The InChIKey is BSYVFGQQLJNJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2.
What are the key properties of 1,2-Bis(2-aminophenylthio)ethane?
1,2-Bis(2-aminophenylthio)ethane has a molecular weight of 276.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Bis(2-aminophenylthio)ethane is sourced from PubChem (CID 92343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).