N-(5-methylthiophen-3-yl)ethanimine

C7H9NS — CID 134547405

IUPACN-(5-methylthiophen-3-yl)ethanimine
SMILESC/C=N/c1csc(C)c1
InChIInChI=1S/C7H9NS/c1-3-8-7-4-6(2)9-5-7/h3-5H,1-2H3/b8-3+
InChIKeyAEPRNPWAESSXGR-FPYGCLRLSA-N
MW139.22 g/mol
LogP2.78
Rot. Bonds1

About N-(5-methylthiophen-3-yl)ethanimine

N-(5-methylthiophen-3-yl)ethanimine (PubChem CID 134547405) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is N-(5-methylthiophen-3-yl)ethanimine.

Molecular Properties

Compound NameN-(5-methylthiophen-3-yl)ethanimine
PubChem CID134547405
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC NameN-(5-methylthiophen-3-yl)ethanimine
SMILESC/C=N/c1csc(C)c1
InChIInChI=1S/C7H9NS/c1-3-8-7-4-6(2)9-5-7/h3-5H,1-2H3/b8-3+
InChIKeyAEPRNPWAESSXGR-FPYGCLRLSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.78
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-(5-methylthiophen-3-yl)ethanimine?
The IUPAC name of N-(5-methylthiophen-3-yl)ethanimine (CID 134547405) is N-(5-methylthiophen-3-yl)ethanimine.
What is the SMILES notation for N-(5-methylthiophen-3-yl)ethanimine?
The canonical SMILES for N-(5-methylthiophen-3-yl)ethanimine is C/C=N/c1csc(C)c1.
What is the InChIKey of N-(5-methylthiophen-3-yl)ethanimine?
The InChIKey is AEPRNPWAESSXGR-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-8-7-4-6(2)9-5-7/h3-5H,1-2H3/b8-3+.
What are the key properties of N-(5-methylthiophen-3-yl)ethanimine?
N-(5-methylthiophen-3-yl)ethanimine has a molecular weight of 139.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-3-yl)ethanimine is sourced from PubChem (CID 134547405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).