2-{[2-(4-Ethoxyphenoxy)ethyl]sulfanyl}-1,3-benzothiazole
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Basic information
- CAS
347341-74-6- Standard SMILES
CCOc1ccc(OCCSc2nc3ccccc3s2)cc1- InChIKey
KTSFHQHWIHOTLC-UHFFFAOYSA-N- Molecular formula
- C17H17NO2S2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.07007113
Names & identifiers
- Preferred name
- 2-{[2-(4-Ethoxyphenoxy)ethyl]sulfanyl}-1,3-benzothiazole
- IUPAC
- 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-benzothiazole
- English name
- 2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1,3-benzothiazole
- Molecular formula
- C17H17NO2S2
- Molecular weight
- 331.45238
Names & synonyms
2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1,3-benzothiazole2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-benzothiazole2-[2-(4-Ethoxy-phenoxy)-ethylsulfanyl]-benzothiazoleAKOS000548091347341-74-6ST50730970AG-690/12893504AN-023/12771010SR-01000426132SR-01000426132-1
Database identifiers
- CAS
347341-74-6- PubChem CID
- 1780032
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
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