Basic information
- CAS
3415-17-6- Standard SMILES
CS(=O)(=O)c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.Cl- InChIKey
CNHZGABTUCRFMK-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O2S2
- Average molar mass
- 368.9 g/mol
- Monoisotopic mass
- 368.0419978
Names & identifiers
- Preferred name
- Imidazo(2,1-b)benzothiazole, 5,6,7,8-tetrahydro-2-(p-methylsulfonylphenyl)-, hydrochloride
- IUPAC
- 2-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride
Names & synonyms
Imidazo(2,1-b)benzothiazole, 5,6,7,8-tetrahydro-2-(p-methylsulfonylphenyl)-, hydrochloride3415-17-62-(p-Methylsulfonylphenyl)-5,6,7,8-tetrahydroimidazo(2,1-b)benzothiazole hydrochlorideDTXSID00187749RefChem:348725DTXCID101102402-[4-(Methanesulfonyl)phenyl]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole--hydrogen chloride (1/1)
Database identifiers
- CAS
3415-17-6- PubChem CID
- 201229
- DTXSID
DTXSID00187749
Properties
Computed structural properties
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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