N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine

C24H20N2O2S2 — CID 101472894

IUPACN,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine
SMILESCOc1ccc(/N=C(C(=N\c2ccc(OC)cc2)/c2cccs2)\c2cccs2)cc1
InChIInChI=1S/C24H20N2O2S2/c1-27-19-11-7-17(8-12-19)25-23(21-5-3-15-29-21)24(22-6-4-16-30-22)26-18-9-13-20(28-2)14-10-18/h3-16H,1-2H3/b25-23-,26-24+
InChIKeyNTESSYSEJWOCKC-MJPLYFDISA-N
MW432.57 g/mol
LogP6.77
Rot. Bonds7

About N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine

N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine (PubChem CID 101472894) has the molecular formula C24H20N2O2S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine
PubChem CID101472894
Molecular FormulaC24H20N2O2S2
Molecular Weight432.57 g/mol
Exact Mass432.10
IUPAC NameN,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine
SMILESCOc1ccc(/N=C(C(=N\c2ccc(OC)cc2)/c2cccs2)\c2cccs2)cc1
InChIInChI=1S/C24H20N2O2S2/c1-27-19-11-7-17(8-12-19)25-23(21-5-3-15-29-21)24(22-6-4-16-30-22)26-18-9-13-20(28-2)14-10-18/h3-16H,1-2H3/b25-23-,26-24+
InChIKeyNTESSYSEJWOCKC-MJPLYFDISA-N
XLogP6.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 6390190
(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol
CID 22270298
1,1,1-trifluoro-4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]-4-thiophen-2-ylbut-3-en-2-one
CID 135538266
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
CID 113091117
(2,4-dimethoxyphenyl) thiophene-2-carboxylate
CID 59558858
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol
CID 11368975
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine?
The IUPAC name of N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine (CID 101472894) is N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine?
The canonical SMILES for N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine is COc1ccc(/N=C(C(=N\c2ccc(OC)cc2)/c2cccs2)\c2cccs2)cc1.
What is the InChIKey of N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine?
The InChIKey is NTESSYSEJWOCKC-MJPLYFDISA-N. The full InChI is InChI=1S/C24H20N2O2S2/c1-27-19-11-7-17(8-12-19)25-23(21-5-3-15-29-21)24(22-6-4-16-30-22)26-18-9-13-20(28-2)14-10-18/h3-16H,1-2H3/b25-23-,26-24+.
What are the key properties of N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine?
N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine has a molecular weight of 432.57 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine is sourced from PubChem (CID 101472894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).