Basic information
- CAS
75084-57-0- Standard SMILES
CC(C)N1C(=O)c2ccccc2NS1(=O)=O.CCNc1nc(Cl)nc(NC(C)C)n1- InChIKey
GQGWFMJZTUNLDU-UHFFFAOYSA-N- Molecular formula
- C18H26ClN7O3S
- Average molar mass
- 456 g/mol
- Monoisotopic mass
- 455.1506366
Names & identifiers
- Preferred name
- Bentazon/atrazine
- IUPAC
- 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
Names & synonyms
75084-57-0Bentazon/atrazineBentazon / atrazineBentazon-atrazine mixt.Atrazine-bentazone mixt.Bentazon - atrazine mixt.BAS 47402HSCHEMBL7933810DTXSID802260641H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide, mixt. with 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine3-(Propan-2-yl)-2lambda~6~,1,3-benzothiadiazine-2,2,4(1H,3H)-trione--6-chloro-N~2~-ethyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine (1/1)
Database identifiers
- CAS
75084-57-0- PubChem CID
- 156552
- DTXSID
DTXSID80226064
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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