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Compound
6-(1-Chloroethenyl)-5-ethenyl-8-methyl-12-methylsulfanyl-3lambda3-chlora-4-oxa-9-thia-7,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2,5,10,12-pentaene
HCID
155709367
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Basic information
Names & identifiers
Properties
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Compound notes
No structure available
Basic information
InChIKey
BKMMVKTUTLGALY-UHFFFAOYSA-N
Molecular formula
C14H13Cl2N3OS2
Average molar mass
374.3 g/mol
Monoisotopic mass
372.9877098
Names & identifiers
Preferred name
6-(1-Chloroethenyl)-5-ethenyl-8-methyl-12-methylsulfanyl-3lambda3-chlora-4-oxa-9-thia-7,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2,5,10,12-pentaene
IUPAC
6-(1-chloroethenyl)-5-ethenyl-8-methyl-12-methylsulfanyl-3λ3-chlora-4-oxa-9-thia-7,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2,5,10,12-pentaene
Database identifiers
PubChem CID
155709367
Properties
Computed structural properties
XLogP
5.2
Topological polar surface area
88.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
566
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