Methyl 5-ethyl-2-isothiocyanatothiophene-3-carboxylate

HCID 19620641
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Basic information

Standard SMILES
CCc1cc(C(=O)OC)c(N=C=S)s1
InChIKey
SEZYICRKXZJPEI-UHFFFAOYSA-N
Molecular formula
C9H9NO2S2
Average molar mass
227.3 g/mol

Names & identifiers

Preferred name
Methyl 5-ethyl-2-isothiocyanatothiophene-3-carboxylate
IUPAC
methyl 5-ethyl-2-isothiocyanatothiophene-3-carboxylate

Names & synonyms

methyl 5-ethyl-2-isothiocyanatothiophene-3-carboxylate869946-96-3MFCD04969622SCHEMBL3639255SEZYICRKXZJPEI-UHFFFAOYSA-NALBB-003068BBL017952STK502582AKOS000309928VS-06611H22515methyl 5-ethyl-2-isothiocyanato-thiophene-3-carboxylate

Database identifiers

PubChem CID
19620641

Properties

Computed structural properties

XLogP
4
Topological polar surface area
99 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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