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3-(2,3-Dichlorophenylthiomethyl)-5-methyl-1,2,4-oxadiazole

HCID 19928658
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(CSc2cccc(Cl)c2Cl)no1
InChIKey
BSASOJPMVKSRCT-UHFFFAOYSA-N
Molecular formula
C10H8Cl2N2OS
Average molar mass
275.15 g/mol

Names & identifiers

Preferred name
3-(2,3-Dichlorophenylthiomethyl)-5-methyl-1,2,4-oxadiazole
IUPAC
3-[(2,3-dichlorophenyl)sulfanylmethyl]-5-methyl-1,2,4-oxadiazole

Names & synonyms

SCHEMBL8760882BSASOJPMVKSRCT-UHFFFAOYSA-N3-(2,3-dichloro-phenylthiomethyl)-5-methyl-1,2,4-oxadiazole3-(2,3-dichlorophenylthiomethyl)-5-methyl-1,2,4-oxadiazole

Database identifiers

PubChem CID
19928658

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
64.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
235

Related reactions

4 records
New reaction record
HRID 22296 reaction equation
HRID 22296As productuspto-grants-1995_06
HRID 22297 reaction equation
HRID 22297As reactantuspto-grants-1995_06
HRID 663780 reaction equation
HRID 663780As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1569447 reaction equation
HRID 1569447As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes