Basic information
- CAS
84682-32-6- Standard SMILES
COc1cccc2sc3ccccc3c(=O)c12- InChIKey
GDVXCEXUGSELGD-UHFFFAOYSA-N- Molecular formula
- C14H10O2S
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.04015073
Names & identifiers
- Preferred name
- 1-methoxy-9H-thioxanthen-9-one
- IUPAC
- 1-methoxythioxanthen-9-one
- English name
- 1-Methoxythioxanthen-9-one
- Molecular formula
- C14H10O2S
- Molecular weight
- 242.29
Names & synonyms
1-Methoxy-9H-thioxanthen-9-one84682-32-6EINECS 283-595-1DTXSID20233676NSC 156510RefChem:76168DTXCID50156167283-595-11-methoxythioxanthen-9-one9H-Thioxanthen-9-one,1-methoxy-9H-Thioxanthen-9-one, 1-methoxy-CT9BLH4HR3
Show more names
NSC-1565101-methoxy-thioxanthen-9-oneNSC1565101-methoxythioxanthenoneUNII-CT9BLH4HR3SCHEMBL2789108SCHEMBL30925001NS00038610
Database identifiers
- CAS
84682-32-6- PubChem CID
- 98640
- DTXSID
DTXSID20233676- UNII
- CT9BLH4HR3
- EC Number
- 283-595-1
- Nikkaji
- J342.633E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- FDA UNII
- 9 BLH4HR3 · CT9BLH4HR3
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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