Basic information
- CAS
492-21-7- Standard SMILES
S=c1c2ccccc2oc2ccccc12- InChIKey
VKLOKHJKPPJQMM-UHFFFAOYSA-N- Molecular formula
- C13H8OS
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.02958605
Names & identifiers
- Preferred name
- Xanthene-9-Thione
- IUPAC
- xanthene-9-thione
- English name
- 9-THIOXANTHENONE
- Molecular formula
- C13H8OS
- Molecular weight
- 212.27
Names & synonyms
Xanthene-9-thione9H-Xanthene-9-thioneXanthioneXanthenethioneDibenzopyran-4-thione9H-Xanthene, 9-thioxo-9H-Xanthen-9-one, 9-thio-DTXSID60306237RefChem:195108DTXCID50257365InChI=1/C13H8OS/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8VKLOKHJKPPJQMM-UHFFFAOYSA-N
Show more names
492-21-7XanthionSCHEMBL195537SCHEMBL310947CHEMBL502408SCHEMBL29487286MFCD00226705NSC174726
Database identifiers
- CAS
492-21-7- PubChem CID
- 300362
- DTXSID
DTXSID60306237- ChEMBL
CHEMBL502408- Nikkaji
- J11.770F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Kinbester Co., Ltd[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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