Basic information
- CAS
64036-73-3- Standard SMILES
CC[NH+](CC)CCNc1c(Cl)cc(Cl)c2[nH+]csc12.[Cl-].[Cl-]- InChIKey
XISOZZWEDNERTM-UHFFFAOYSA-N- Molecular formula
- C13H19Cl4N3S
- Average molar mass
- 391.2 g/mol
- Monoisotopic mass
- 389.00538
Names & identifiers
- Preferred name
- Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride
- IUPAC
- 2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethylazanium dichloride
Names & synonyms
BENZOTHIAZOLE, 4,6-DICHLORO-7-(2-DIETHYLAMINOETHYL)AMINO-, DIHYDROCHLORIDERefChem:107936264036-73-3USAF DU-14,6-Dichloro-7-(beta-diethylaminoethyl)amino benzothiazole dihydrochloride
Database identifiers
- CAS
64036-73-3- PubChem CID
- 46374
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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