Basic information
- CAS
21908-85-0- Standard SMILES
O=c1c2ccccc2sc2c(Cl)cccc12- InChIKey
SGSKTOKJZHJRCN-UHFFFAOYSA-N- Molecular formula
- C13H7ClOS
- Average molar mass
- 246.71 g/mol
- Monoisotopic mass
- 245.9906137
Names & identifiers
- Preferred name
- 4-chloro-9H-thioxanthen-9-one
- IUPAC
- 4-chlorothioxanthen-9-one
- English name
- 4-chloro-9H-thioxanthen-9-one
- Molecular formula
- C13H7ClOS
- Molecular weight
- 246.71208
Names & synonyms
4-Chloro-9H-thioxanthen-9-one21908-85-0EINECS 244-655-2DTXSID50176325RefChem:98514DTXCID3098816244-655-277XL4WZR6S4-chlorothioxanthen-9-oneUNII-77XL4WZR6SSCHEMBL150108SGSKTOKJZHJRCN-UHFFFAOYSA-N
Show more names
9H-Thioxanthen-9-one, 4-chloro-DB-195677NS00026995
Database identifiers
- CAS
21908-85-0- PubChem CID
- 89102
- DTXSID
DTXSID50176325- UNII
- 77XL4WZR6S
- EC Number
- 244-655-2
- Nikkaji
- J65.446I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- FDA UNII
- 77 XL4WZR6S · 77XL4WZR6S
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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