(E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine

C10H6Br2N2S2 — CID 139175814

IUPAC(E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine
SMILESBrc1csc(/C=N/N=C/c2cc(Br)cs2)c1
InChIInChI=1S/C10H6Br2N2S2/c11-7-1-9(15-5-7)3-13-14-4-10-2-8(12)6-16-10/h1-6H/b13-3+,14-4+
InChIKeyVVHQNLVRGIVGKG-NPJRDEIVSA-N
MW378.11 g/mol
LogP4.79
Rot. Bonds3

About (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine

(E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine (PubChem CID 139175814) has the molecular formula C10H6Br2N2S2 and a molecular weight of 378.11 g/mol. Its IUPAC name is (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine
PubChem CID139175814
Molecular FormulaC10H6Br2N2S2
Molecular Weight378.11 g/mol
Exact Mass375.83
IUPAC Name(E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine
SMILESBrc1csc(/C=N/N=C/c2cc(Br)cs2)c1
InChIInChI=1S/C10H6Br2N2S2/c11-7-1-9(15-5-7)3-13-14-4-10-2-8(12)6-16-10/h1-6H/b13-3+,14-4+
InChIKeyVVHQNLVRGIVGKG-NPJRDEIVSA-N
XLogP4.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine (CID 139175814) is (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine is Brc1csc(/C=N/N=C/c2cc(Br)cs2)c1.
What is the InChIKey of (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine?
The InChIKey is VVHQNLVRGIVGKG-NPJRDEIVSA-N. The full InChI is InChI=1S/C10H6Br2N2S2/c11-7-1-9(15-5-7)3-13-14-4-10-2-8(12)6-16-10/h1-6H/b13-3+,14-4+.
What are the key properties of (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine?
(E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine has a molecular weight of 378.11 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromothiophen-2-yl)-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]methanimine is sourced from PubChem (CID 139175814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).