1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine

C24H20N2S4 — CID 102282982

IUPAC1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine
SMILESC(=N/c1ccccc1SCCSc1ccccc1/N=C/c1cccs1)\c1cccs1
InChIInChI=1S/C24H20N2S4/c1-3-11-23(21(9-1)25-17-19-7-5-13-27-19)29-15-16-30-24-12-4-2-10-22(24)26-18-20-8-6-14-28-20/h1-14,17-18H,15-16H2/b25-17+,26-18+
InChIKeyYJISLCBPVFZCQS-RPCRKUJJSA-N
MW464.71 g/mol
LogP8.20
Rot. Bonds9

About 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine

1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine (PubChem CID 102282982) has the molecular formula C24H20N2S4 and a molecular weight of 464.71 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine
PubChem CID102282982
Molecular FormulaC24H20N2S4
Molecular Weight464.71 g/mol
Exact Mass464.05
IUPAC Name1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine
SMILESC(=N/c1ccccc1SCCSc1ccccc1/N=C/c1cccs1)\c1cccs1
InChIInChI=1S/C24H20N2S4/c1-3-11-23(21(9-1)25-17-19-7-5-13-27-19)29-15-16-30-24-12-4-2-10-22(24)26-18-20-8-6-14-28-20/h1-14,17-18H,15-16H2/b25-17+,26-18+
InChIKeyYJISLCBPVFZCQS-RPCRKUJJSA-N
XLogP8.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.71
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine (CID 102282982) is 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine is C(=N/c1ccccc1SCCSc1ccccc1/N=C/c1cccs1)\c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine?
The InChIKey is YJISLCBPVFZCQS-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H20N2S4/c1-3-11-23(21(9-1)25-17-19-7-5-13-27-19)29-15-16-30-24-12-4-2-10-22(24)26-18-20-8-6-14-28-20/h1-14,17-18H,15-16H2/b25-17+,26-18+.
What are the key properties of 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine?
1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine has a molecular weight of 464.71 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-[2-[2-(thiophen-2-ylmethylideneamino)phenyl]sulfanylethylsulfanyl]phenyl]methanimine is sourced from PubChem (CID 102282982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).