1-thiophen-2-ylpropan-2-imine

C7H9NS — CID 90887944

IUPAC1-thiophen-2-ylpropan-2-imine
SMILES[H]/N=C(\C)Cc1cccs1
InChIInChI=1S/C7H9NS/c1-6(8)5-7-3-2-4-9-7/h2-4,8H,5H2,1H3/b8-6+
InChIKeyTWTYMAXRELZGQY-SOFGYWHQSA-N
MW139.22 g/mol
LogP2.33
Rot. Bonds2

About 1-thiophen-2-ylpropan-2-imine

1-thiophen-2-ylpropan-2-imine (PubChem CID 90887944) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 1-thiophen-2-ylpropan-2-imine.

Molecular Properties

Compound Name1-thiophen-2-ylpropan-2-imine
PubChem CID90887944
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name1-thiophen-2-ylpropan-2-imine
SMILES[H]/N=C(\C)Cc1cccs1
InChIInChI=1S/C7H9NS/c1-6(8)5-7-3-2-4-9-7/h2-4,8H,5H2,1H3/b8-6+
InChIKeyTWTYMAXRELZGQY-SOFGYWHQSA-N
XLogP2.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
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 1-thiophen-2-ylpropan-2-imine?
The IUPAC name of 1-thiophen-2-ylpropan-2-imine (CID 90887944) is 1-thiophen-2-ylpropan-2-imine.
What is the SMILES notation for 1-thiophen-2-ylpropan-2-imine?
The canonical SMILES for 1-thiophen-2-ylpropan-2-imine is [H]/N=C(\C)Cc1cccs1.
What is the InChIKey of 1-thiophen-2-ylpropan-2-imine?
The InChIKey is TWTYMAXRELZGQY-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NS/c1-6(8)5-7-3-2-4-9-7/h2-4,8H,5H2,1H3/b8-6+.
What are the key properties of 1-thiophen-2-ylpropan-2-imine?
1-thiophen-2-ylpropan-2-imine has a molecular weight of 139.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpropan-2-imine is sourced from PubChem (CID 90887944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).