N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine

C9H11NS — CID 167097740

IUPACN-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine
SMILESC=N/C=c1/c(C)cs/c1=C/C
InChIInChI=1S/C9H11NS/c1-4-9-8(5-10-3)7(2)6-11-9/h4-6H,3H2,1-2H3/b8-5-,9-4+
InChIKeyDFIAHPCNVOCDIA-JDNPHIJCSA-N
MW165.26 g/mol
LogP1.30
Rot. Bonds1

About N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine

N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine (PubChem CID 167097740) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine
PubChem CID167097740
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine
SMILESC=N/C=c1/c(C)cs/c1=C/C
InChIInChI=1S/C9H11NS/c1-4-9-8(5-10-3)7(2)6-11-9/h4-6H,3H2,1-2H3/b8-5-,9-4+
InChIKeyDFIAHPCNVOCDIA-JDNPHIJCSA-N
XLogP1.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine?
The IUPAC name of N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine (CID 167097740) is N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine.
What is the SMILES notation for N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine?
The canonical SMILES for N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine is C=N/C=c1/c(C)cs/c1=C/C.
What is the InChIKey of N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine?
The InChIKey is DFIAHPCNVOCDIA-JDNPHIJCSA-N. The full InChI is InChI=1S/C9H11NS/c1-4-9-8(5-10-3)7(2)6-11-9/h4-6H,3H2,1-2H3/b8-5-,9-4+.
What are the key properties of N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine?
N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine has a molecular weight of 165.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-ethylidene-4-methylthiophen-3-ylidene]methyl]methanimine is sourced from PubChem (CID 167097740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).