Registration Dossier

Reference substances

Reference substances

IUPAC name:
2-isopropyl-9H-thioxanthen-9-one

Inventory

EC number:
226-827-9
EC name:
2-isopropyl-9H-thioxanthen-9-one
CAS number:
5495-84-1
CAS number:
5495-84-1
Synonyms
Names:
Identifier:
IUPAC name
2-isopropyl-9H-thioxanthen-9-one
Identifier:
other: SMILES notation
CC(C)C1=CC2=C(SC3=C(C=CC=C3)C2=O)C=C1
Identifier:
other: SMILES notation
CC(C)c1ccc2Sc3ccccc3C(=O)c2c1
Identifier:
other: InChl
InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3
2-(propan-2-yl)-9H-thioxanthen-9-one

Molecular and structural information

Molecular formula:
C16H14OS
Molecular weight:
254.347
SMILES notation:
O=C1c2c(Sc3ccccc13)ccc(c2)C(C)C
InChl:
InChI=1/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3
Structural formula:
Chemical structure

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