2-amino-7-methyl-9H-thioxanthen-9-one
Basic information
- CAS
78160-12-0- Standard SMILES
Cc1ccc2sc3ccc(N)cc3c(=O)c2c1- InChIKey
VVQULFWWOHEBQC-UHFFFAOYSA-N- Molecular formula
- C14H11NOS
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.05613515
Names & identifiers
- Preferred name
- 2-amino-7-methyl-9H-thioxanthen-9-one
- IUPAC
- 2-amino-7-methylthioxanthen-9-one
- English name
- 2-Amino-7-methyl-9H-thioxanthen-9-one
- Molecular formula
- C14H11NOS
- Molecular weight
- 241.31
Names & synonyms
2-amino-7-methyl-9H-thioxanthen-9-one78160-12-02-amino-7-methylthioxanthen-9-oneC14H11NOSMFCD041177809H-Thioxanthen-9-one,2-amino-7-methyl-9681AENSC354084CHEMBL1991189SCHEMBL15237050DTXSID203200352-amino-7-methyl-thioxanthen-9-one
Show more names
SBB0994512-amino-7 -methyl-thioxanthen-9-onAKOS005069237NSC-35408410P-569SNCI60_0031818-amino-2-methyldibenzo[b,e]thiin-10-one
Database identifiers
- CAS
78160-12-0- PubChem CID
- 337138
- DTXSID
DTXSID20320035- ChEMBL
CHEMBL1991189
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 179 · 179-183°C
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Suppliers
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Related reactions
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Compound notes
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