Basic information
- CAS
62886-19-5- Standard SMILES
O=C(CSc1nc2ccccc2s1)Oc1ccc(Cl)cc1Cl- InChIKey
QWRLHAUCJJLKBT-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2NO2S2
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 368.9451763
Names & identifiers
- Preferred name
- (2,4-Dichlorophenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
- IUPAC
- (2,4-dichlorophenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Names & synonyms
62886-19-5NSC85752DTXSID60978635NSC-857522,4-Dichlorophenyl [(1,3-benzothiazol-2-yl)sulfanyl]acetate
Database identifiers
- CAS
62886-19-5- PubChem CID
- 257598
- DTXSID
DTXSID60978635
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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