alpha-Isocyanato-2-thiopheneacetic acid, ethyl ester

HCID 54068691
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(N=C=O)c1cccs1
InChIKey
MEVZREWTQFLMAQ-UHFFFAOYSA-N
Molecular formula
C9H9NO3S
Average molar mass
211.24 g/mol

Names & identifiers

Preferred name
alpha-Isocyanato-2-thiopheneacetic acid, ethyl ester
IUPAC
ethyl 2-isocyanato-2-thiophen-2-ylacetate

Names & synonyms

SCHEMBL11620994MEVZREWTQFLMAQ-UHFFFAOYSA-Nalpha-isocyanato-2-thiopheneacetic acid, ethyl ester

Database identifiers

PubChem CID
54068691

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
84 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
14

Related reactions

3 records
New reaction record

Linked notes

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