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3-Ethenyl-6,7-dihydro[1,4]oxathiino[3,2-c]pyridazine

HCID 67527273
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=Cc1cc2c(nn1)SCCO2
InChIKey
KOEHJXDMYZOELI-UHFFFAOYSA-N
Molecular formula
C8H8N2OS
Average molar mass
180.23 g/mol

Names & identifiers

Preferred name
3-Ethenyl-6,7-dihydro[1,4]oxathiino[3,2-c]pyridazine
IUPAC
3-ethenyl-6,7-dihydro-[1,4]oxathiino[3,2-c]pyridazine

Names & synonyms

SCHEMBL2768694KOEHJXDMYZOELI-UHFFFAOYSA-N3-ethenyl-6,7-dihydro[1,4]oxathiino[3,2-c]pyridazine

Database identifiers

PubChem CID
67527273

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
60.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
176

Related reactions

3 records
New reaction record
HRID 15154 reaction equation
HRID 15154As productuspto-grants-2010_06
HRID 15155 reaction equation
HRID 15155As reactantuspto-grants-2010_06
HRID 668754 reaction equation
HRID 668754As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes