4,8-Bis(trifluoromethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-11-thione

HCID 23362004
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Basic information

Standard SMILES
FC(F)(F)c1ccc2c(c1)NC(=S)c1cccc(C(F)(F)F)c1S2
InChIKey
ZIIOVVQFFFDXGG-UHFFFAOYSA-N
Molecular formula
C15H7F6NS2
Average molar mass
379.3 g/mol

Names & identifiers

Preferred name
4,8-Bis(trifluoromethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-11-thione
IUPAC
3,10-bis(trifluoromethyl)-5H-benzo[b][1,4]benzothiazepine-6-thione

Names & synonyms

4,8-Bis(trifluoromethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-11-thioneSCHEMBL9007395

Database identifiers

PubChem CID
23362004

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
69.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
0
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

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4,8-Bis(trifluoromethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-11-thione (HCID 23362004)｜Huagongshe