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Reference substances

Reference substances

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General information

Inventory

EC number:
208-336-1
EC name:
2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
CAS number:
522-75-8

No inventory information available

Reference substance information

IUPAC name:
2-[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]-2,3-dihydro-1-benzothiophen-3-one
Synonyms
Names:
(.DELTA.2,2'(3H,3'H)-Bibenzo(b)thiophene)-3,3'-dione
Benzo[b]thiophen-3(2H)-one, 2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
Identifier:
CAS number
522-75-8
Identifier:
EC number
208-336-1
Identifier:
IUPAC name
2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
Identifier:
IUPAC name
3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione
Identifier:
common name
Thioindigo
Identifier:
other: InChl
InChI=1/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H
Identifier:
other: SMILES notation
O=C3c4ccccc4SC3=C2Sc1ccccc1C2=O
3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione

CAS information

CAS number:
522-75-8

Molecular and structural information

Molecular formula:
C16H8O2S2
Molecular weight:
296.369
SMILES notation:
O=C1c2c(S\C1=C1/Sc3c(cccc3)C1=O)cccc2
InChl:
1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-
Structural formula:
Chemical structure