4-(Dimethylamino)methylene-2,1,3-benzothiadiazole and methyl iodide
Basic information
- CAS
101398-45-2- Standard SMILES
CI.CN(C)C=Nc1cccc2nsnc12- InChIKey
KTBPRCFPZXZROS-UHFFFAOYSA-N- Molecular formula
- C10H13IN4S
- Average molar mass
- 348.21 g/mol
- Monoisotopic mass
- 347.99057
Names & identifiers
- Preferred name
- 4-(Dimethylamino)methylene-2,1,3-benzothiadiazole and methyl iodide
- IUPAC
- N'-(2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide;iodomethane
Names & synonyms
NSC6656744-(Dimethylamino)methylene-2,1,3-benzothiadiazole and methyl iodide101398-45-2NSC-665674N'-(2,1,3-benzothiadiazol-4-yl)-N,N-dimethyl-formamidine; iodomethaneN'-(2,1,3-Benzothiadiazol-4-yl)-N,N-dimethylimidoformamide compound with iodomethane (1:1)
Database identifiers
- CAS
101398-45-2- PubChem CID
- 58267
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
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