Registration Dossier
Registration Dossier
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EC number: 226-827-9 | CAS number: 5495-84-1
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-(propan-2-yl)-9H-thioxanthen-9-one
- Identifier:
- ChemSpider ID
- 71936
- Identifier:
- other: SMILES notation
- CC(C)C1=CC2=C(SC3=C(C=CC=C3)C2=O)C=C1
- Identifier:
- other: SMILES notation
- CC(C)C1=CC=C2SC3=CC=CC=C3C(=O)C2=C1
- 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
- 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
- Identifier:
- other: SMILES notation
- O=C1c2c(Sc3ccccc13)ccc(c2)C(C)C
- 2-isopropyl-9H-thioxanthen-9-one
Molecular and structural information
- Molecular formula:
- C16H14OS
- Molecular weight:
- 254.347
- SMILES notation:
- CC(C)c1ccc2Sc3ccccc3C(=O)c2c1
- 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:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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