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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
dibenzo[b,e]thiepin-11(6H)-one

Inventory

EC number:
216-241-1
EC name:
Dibenzo[b,e]thiepin-11(6H)-one
CAS number:
1531-77-7
CAS number:
1531-77-7
Synonyms
Names:
dibenzo[b,e]thiepin-11(6h)-one
Identifier:
EC number
216-241-1
Identifier:
IUPAC name
6H-benzo[c][1]benzothiepin-11-one
Identifier:
other: InChl
1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
Identifier:
other: SMILES notation
C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1
Identifier:
other:
Dothiepinone
dibenzo[b,e]thiepin-11(6H)-one

Molecular and structural information

Molecular formula:
C14H10OS
Molecular weight:
226.294
SMILES notation:
O=C1c2ccccc2CSc3ccccc13
InChl:
InChI=1/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
Structural formula:
Chemical structure

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