4-(Dimethylamino)methyleneamino-2,1,3-benzothiadiazole
Basic information
- CAS
101398-44-1- Standard SMILES
CN(C)C=Nc1cccc2nsnc12- InChIKey
XGSDDADAQMHBAA-UHFFFAOYSA-N- Molecular formula
- C9H10N4S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.06261751
Names & identifiers
- Preferred name
- 4-(Dimethylamino)methyleneamino-2,1,3-benzothiadiazole
- IUPAC
- N'-(2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
Names & synonyms
101398-44-14-(Dimethylamino)methyleneamino-2,1,3-benzothiadiazole(E)-N'-(benzo[c][1,2,5]thiadiazol-4-yl)-N,N-dimethylformimidamideNCI60_022661FORMAMIDINE, N'-(2,1,3-BENZOTHIADIAZOL-4-YL)-N,N-DIMETHYL-Oprea1_213092DTXSID901384668AKOS003231808ST50976362AG-670/31512050N'-(2,1,3-benzothiadiazol-4-yl)-N,N-dimethylimidoformamide((1E)-2-benzo[2,3-c]1,2,5-thiadiazol-4-yl-2-azavinyl)dimethylamine
Database identifiers
- CAS
101398-44-1- PubChem CID
- 58266
- DTXSID
DTXSID901384668- Nikkaji
- J69.607B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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