Basic information
- CAS
6337-13-9- Standard SMILES
O=C1c2ccccc2-c2nsc3c(C(Br)Br)ccc1c23- InChIKey
TWOFOQVEGGJRHL-UHFFFAOYSA-N- Molecular formula
- C15H7Br2NOS
- Average molar mass
- 409.1 g/mol
- Monoisotopic mass
- 406.86151
Names & identifiers
- Preferred name
- 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one
- IUPAC
- 12-(dibromomethyl)-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
Names & synonyms
NSC399376337-13-93-(dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-onedibromomethyl[?]oneDTXSID30979518NSC-399376H-Anthra[9,1-cd]isothiazol-6-one, 3-(dibromomethyl)-
Database identifiers
- CAS
6337-13-9- PubChem CID
- 236901
- DTXSID
DTXSID30979518
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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