(E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine

C12H12N2S2 — CID 6895732

IUPAC(E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine
SMILESCc1ccsc1/C=N/N=C/c1sccc1C
InChIInChI=1S/C12H12N2S2/c1-9-3-5-15-11(9)7-13-14-8-12-10(2)4-6-16-12/h3-8H,1-2H3/b13-7+,14-8+
InChIKeyAQSGGOLDOQGOAO-FNCQTZNRSA-N
MW248.38 g/mol
LogP3.88
Rot. Bonds3

About (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine

(E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine (PubChem CID 6895732) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine
PubChem CID6895732
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name(E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine
SMILESCc1ccsc1/C=N/N=C/c1sccc1C
InChIInChI=1S/C12H12N2S2/c1-9-3-5-15-11(9)7-13-14-8-12-10(2)4-6-16-12/h3-8H,1-2H3/b13-7+,14-8+
InChIKeyAQSGGOLDOQGOAO-FNCQTZNRSA-N
XLogP3.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.88
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-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine (CID 6895732) is (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine is Cc1ccsc1/C=N/N=C/c1sccc1C.
What is the InChIKey of (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine?
The InChIKey is AQSGGOLDOQGOAO-FNCQTZNRSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-9-3-5-15-11(9)7-13-14-8-12-10(2)4-6-16-12/h3-8H,1-2H3/b13-7+,14-8+.
What are the key properties of (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine?
(E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine has a molecular weight of 248.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylthiophen-2-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]methanimine is sourced from PubChem (CID 6895732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).