2-Isopropylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester

HCID 90118331
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Basic information

Standard SMILES
CCOC(=O)c1ccnc(SC(C)C)n1
InChIKey
SBPBNPLXJULUIW-UHFFFAOYSA-N
Molecular formula
C10H14N2O2S
Average molar mass
226.3 g/mol

Names & identifiers

Preferred name
2-Isopropylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester
IUPAC
ethyl 2-propan-2-ylsulfanylpyrimidine-4-carboxylate

Names & synonyms

SCHEMBL15669110SBPBNPLXJULUIW-UHFFFAOYSA-N2-isopropylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID
90118331

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
77.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
15

Related reactions

2 records
New reaction record

Linked notes

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