S-ethyl 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbothioate

HCID 86639909
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Basic information

Standard SMILES
CCSC(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIKey
QMXKKLOXNDFBOP-UHFFFAOYSA-N
Molecular formula
C11H9BrClN3OS
Average molar mass
346.63 g/mol

Names & identifiers

Preferred name
S-ethyl 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbothioate
IUPAC
S-ethyl 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbothioate

Names & synonyms

QMXKKLOXNDFBOP-UHFFFAOYSA-NS-ethyl 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbothioate

Database identifiers

PubChem CID
86639909

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
73.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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