N-(2-ethynylthiophen-3-yl)methanimine

C7H5NS — CID 153381129

IUPACN-(2-ethynylthiophen-3-yl)methanimine
SMILESC#Cc1sccc1N=C
InChIInChI=1S/C7H5NS/c1-3-7-6(8-2)4-5-9-7/h1,4-5H,2H2
InChIKeyUIAXOXHPLPHQSQ-UHFFFAOYSA-N
MW135.19 g/mol
LogP2.06
Rot. Bonds1

About N-(2-ethynylthiophen-3-yl)methanimine

N-(2-ethynylthiophen-3-yl)methanimine (PubChem CID 153381129) has the molecular formula C7H5NS and a molecular weight of 135.19 g/mol. Its IUPAC name is N-(2-ethynylthiophen-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethynylthiophen-3-yl)methanimine
PubChem CID153381129
Molecular FormulaC7H5NS
Molecular Weight135.19 g/mol
Exact Mass135.01
IUPAC NameN-(2-ethynylthiophen-3-yl)methanimine
SMILESC#Cc1sccc1N=C
InChIInChI=1S/C7H5NS/c1-3-7-6(8-2)4-5-9-7/h1,4-5H,2H2
InChIKeyUIAXOXHPLPHQSQ-UHFFFAOYSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethynylthiophen-3-yl)methanimine?
The IUPAC name of N-(2-ethynylthiophen-3-yl)methanimine (CID 153381129) is N-(2-ethynylthiophen-3-yl)methanimine.
What is the SMILES notation for N-(2-ethynylthiophen-3-yl)methanimine?
The canonical SMILES for N-(2-ethynylthiophen-3-yl)methanimine is C#Cc1sccc1N=C.
What is the InChIKey of N-(2-ethynylthiophen-3-yl)methanimine?
The InChIKey is UIAXOXHPLPHQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS/c1-3-7-6(8-2)4-5-9-7/h1,4-5H,2H2.
What are the key properties of N-(2-ethynylthiophen-3-yl)methanimine?
N-(2-ethynylthiophen-3-yl)methanimine has a molecular weight of 135.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethynylthiophen-3-yl)methanimine is sourced from PubChem (CID 153381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).