2-(2-isocyanoethyl)thiophene

C7H7NS — CID 2769497

IUPAC2-(2-isocyanoethyl)thiophene
SMILES[C-]#[N+]CCc1cccs1
InChIInChI=1S/C7H7NS/c1-8-5-4-7-3-2-6-9-7/h2-3,6H,4-5H2
InChIKeyLZSOGQNQXJHKMF-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-isocyanoethyl)thiophene

2-(2-isocyanoethyl)thiophene (PubChem CID 2769497) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 2-(2-isocyanoethyl)thiophene.

Molecular Properties

Compound Name2-(2-isocyanoethyl)thiophene
PubChem CID2769497
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name2-(2-isocyanoethyl)thiophene
SMILES[C-]#[N+]CCc1cccs1
InChIInChI=1S/C7H7NS/c1-8-5-4-7-3-2-6-9-7/h2-3,6H,4-5H2
InChIKeyLZSOGQNQXJHKMF-UHFFFAOYSA-N
XLogP2.21
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-isocyanoethyl)thiophene?
The IUPAC name of 2-(2-isocyanoethyl)thiophene (CID 2769497) is 2-(2-isocyanoethyl)thiophene.
What is the SMILES notation for 2-(2-isocyanoethyl)thiophene?
The canonical SMILES for 2-(2-isocyanoethyl)thiophene is [C-]#[N+]CCc1cccs1.
What is the InChIKey of 2-(2-isocyanoethyl)thiophene?
The InChIKey is LZSOGQNQXJHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-8-5-4-7-3-2-6-9-7/h2-3,6H,4-5H2.
What are the key properties of 2-(2-isocyanoethyl)thiophene?
2-(2-isocyanoethyl)thiophene has a molecular weight of 137.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isocyanoethyl)thiophene is sourced from PubChem (CID 2769497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).