Basic information
- CAS
77482-46-3- Standard SMILES
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O.c1ccc([C@H]2CN3CCSC3=N2)cc1- InChIKey
SRPURXUDQNNSSH-RLGBJRSSSA-N- Molecular formula
- C23H18Cl4N2O2S2
- Average molar mass
- 560.3 g/mol
- Monoisotopic mass
- 557.956381
Names & identifiers
- Preferred name
- Helmoral B
- IUPAC
- 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Names & synonyms
77482-46-3Helmoral BVetaviaDTXSID502281912,2'-Sulfanediylbis(4,6-dichlorophenol)--(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (1/1)Phenol, 2,2'-thiobis(4,6-dichloro-, mixt. with (S)-2,3,5,6-tetrahydro-6-phenylimidazo(2,1-b)thiazole
Database identifiers
- CAS
77482-46-3- PubChem CID
- 192115
- DTXSID
DTXSID50228191
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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