4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline

C16H14N2S3 — CID 101461666

IUPAC4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline
SMILESNc1ccc(Sc2ccc(Sc3ccc(N)cc3)s2)cc1
InChIInChI=1S/C16H14N2S3/c17-11-1-5-13(6-2-11)19-15-9-10-16(21-15)20-14-7-3-12(18)4-8-14/h1-10H,17-18H2
InChIKeyWFDDMRRZEHUPCP-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.21
Rot. Bonds4

About 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline

4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline (PubChem CID 101461666) has the molecular formula C16H14N2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline
PubChem CID101461666
Molecular FormulaC16H14N2S3
Molecular Weight330.50 g/mol
Exact Mass330.03
IUPAC Name4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline
SMILESNc1ccc(Sc2ccc(Sc3ccc(N)cc3)s2)cc1
InChIInChI=1S/C16H14N2S3/c17-11-1-5-13(6-2-11)19-15-9-10-16(21-15)20-14-7-3-12(18)4-8-14/h1-10H,17-18H2
InChIKeyWFDDMRRZEHUPCP-UHFFFAOYSA-N
XLogP5.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline?
The IUPAC name of 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline (CID 101461666) is 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline.
What is the SMILES notation for 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline?
The canonical SMILES for 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline is Nc1ccc(Sc2ccc(Sc3ccc(N)cc3)s2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline?
The InChIKey is WFDDMRRZEHUPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S3/c17-11-1-5-13(6-2-11)19-15-9-10-16(21-15)20-14-7-3-12(18)4-8-14/h1-10H,17-18H2.
What are the key properties of 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline?
4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline has a molecular weight of 330.50 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)sulfanylthiophen-2-yl]sulfanylaniline is sourced from PubChem (CID 101461666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).