2-Chlorothioxanthone

• CAS: 86-39-5
• Catalog Number: ACM86395
• Category: Polymer/Macromolecule
• Molecular Weight: 246.71g/mol
• Molecular Formula: C13H7ClOS
• Synonyms: 2-chloro-9h-thioxanthen-9-on;2-chloro-9H-Thioxanthen-9-one;KayacureCTX;NissoCureCTX;QuantacureCTX;Sandoray1050;Thioxanthen-9-one,2-chloro-;UCI100
• IUPAC Name: 2-chlorothioxanthen-9-one
• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl
• InChI: InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
• InChI Key: ZCDADJXRUCOCJE-UHFFFAOYSA-N
• Complexity: 294
• Covalently-Bonded Unit Count: 1
• EC Number: 201-667-2
• Exact Mass: 245.990614g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 245.990614g/mol
• Rotatable Bond Count: 0
• UNII: RGS87T004B
• XLogP3: 4.6

Custom Q&A

What is the molecular formula of 2-Chlorothioxanthone?

The molecular formula of 2-Chlorothioxanthone is C13H7ClOS.

What is the molecular weight of 2-Chlorothioxanthone?

The molecular weight of 2-Chlorothioxanthone is 246.71 g/mol.

When was 2-Chlorothioxanthone created and modified?

2-Chlorothioxanthone was created on March 27, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 2-Chlorothioxanthone?

The IUPAC name of 2-Chlorothioxanthone is 2-chlorothioxanthen-9-one.

What is the InChI of 2-Chlorothioxanthone?

The InChI of 2-Chlorothioxanthone is InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H.

What is the InChIKey of 2-Chlorothioxanthone?

The InChIKey of 2-Chlorothioxanthone is ZCDADJXRUCOCJE-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chlorothioxanthone?

The canonical SMILES of 2-Chlorothioxanthone is C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl.

What is the CAS number of 2-Chlorothioxanthone?

The CAS number of 2-Chlorothioxanthone is 86-39-5.

What is the European Community (EC) number of 2-Chlorothioxanthone?

The European Community (EC) number of 2-Chlorothioxanthone is 201-667-2.

Is 2-Chlorothioxanthone a canonicalized compound?

Yes, 2-Chlorothioxanthone is a canonicalized compound.