2-tert-Butoxy-5-(methylsulfanyl)thiophene
Basic information
- CAS
91005-16-2- Standard SMILES
CSc1ccc(OC(C)(C)C)s1- InChIKey
UAIVWRHWFCMNNT-UHFFFAOYSA-N- Molecular formula
- C9H14OS2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.04860741
Names & identifiers
- Preferred name
- 2-tert-Butoxy-5-(methylsulfanyl)thiophene
- IUPAC
- 2-[(2-methylpropan-2-yl)oxy]-5-methylsulfanylthiophene
Names & synonyms
91005-16-22-tert-Butoxy-5-(methylsulfanyl)thiopheneDTXSID70291468RefChem:267067DTXCID70242612NSC75756NSC-757562-methylsulfanyl-5-tert-butoxy-thiopheneDS-013467
Database identifiers
- CAS
91005-16-2- PubChem CID
- 253174
- DTXSID
DTXSID70291468
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
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Related reactions
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Compound notes
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