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

C22H16N2S4 — CID 86193096

IUPAC1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine
SMILESC(=N/c1ccccc1SSc1ccccc1/N=C/c1cccs1)\c1cccs1
InChIInChI=1S/C22H16N2S4/c1-3-11-21(19(9-1)23-15-17-7-5-13-25-17)27-28-22-12-4-2-10-20(22)24-16-18-8-6-14-26-18/h1-16H/b23-15+,24-16+
InChIKeyKVGIZQJTLOIAHX-DFEHQXHXSA-N
MW436.65 g/mol
LogP8.11
Rot. Bonds7

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

1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine (PubChem CID 86193096) has the molecular formula C22H16N2S4 and a molecular weight of 436.65 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine
PubChem CID86193096
Molecular FormulaC22H16N2S4
Molecular Weight436.65 g/mol
Exact Mass436.02
IUPAC Name1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine
SMILESC(=N/c1ccccc1SSc1ccccc1/N=C/c1cccs1)\c1cccs1
InChIInChI=1S/C22H16N2S4/c1-3-11-21(19(9-1)23-15-17-7-5-13-25-17)27-28-22-12-4-2-10-20(22)24-16-18-8-6-14-26-18/h1-16H/b23-15+,24-16+
InChIKeyKVGIZQJTLOIAHX-DFEHQXHXSA-N
XLogP8.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', '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-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine (CID 86193096) is 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine is C(=N/c1ccccc1SSc1ccccc1/N=C/c1cccs1)\c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine?
The InChIKey is KVGIZQJTLOIAHX-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H16N2S4/c1-3-11-21(19(9-1)23-15-17-7-5-13-25-17)27-28-22-12-4-2-10-20(22)24-16-18-8-6-14-26-18/h1-16H/b23-15+,24-16+.
What are the key properties of 1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine?
1-thiophen-2-yl-N-[2-[[2-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine has a molecular weight of 436.65 g/mol, XLogP of 8.11, 7 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-(thiophen-2-ylmethylideneamino)phenyl]disulfanyl]phenyl]methanimine is sourced from PubChem (CID 86193096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).