Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
Basic information
- CAS
104519-28-0- Standard SMILES
CCCCc1c(C)nn(-c2nc3ccc(Cl)cc3s2)c1C- InChIKey
DZIRTOUFZBECHD-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3S
- Average molar mass
- 319.9 g/mol
- Monoisotopic mass
- 319.0909965
Names & identifiers
- Preferred name
- Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
- IUPAC
- 2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-1,3-benzothiazole
Names & synonyms
BRN 5594839BENZOTHIAZOLE, 2-(4-BUTYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-6-CHLORO-104519-28-0DTXSID301465262-(4-Butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-benzothiazoleRefChem:328192DTXCID3069017DZIRTOUFZBECHD-UHFFFAOYSA-N2-(4'-Butyl-3',5'-dimethylpyrazol-1'-yl)-6-chlorobenzothiazole2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-1,3-benzothiazole2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-1,3-benzothiazole #
Database identifiers
- CAS
104519-28-0- PubChem CID
- 59866
- DTXSID
DTXSID30146526
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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