Basic information
- CAS
109299-82-3- Standard SMILES
CC(C)(C)Oc1ncc(-c2ccsc2)c(OC(C)(C)C)n1- InChIKey
NNKNJNLRAFJVDB-UHFFFAOYSA-N- Molecular formula
- C16H22N2O2S
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- 2,4-Ditert-butoxy-5-(3-thienyl)pyrimidine
- IUPAC
- 2,4-bis[(2-methylpropan-2-yl)oxy]-5-thiophen-3-ylpyrimidine
- English name
- 2,4-ditert-butoxy-5-(3-thienyl)pyrimidine
- Molecular formula
- C16H22N2O2S
- Molecular weight
- 306.42308
Names & synonyms
2,4-ditert-butoxy-5-(3-thienyl)pyrimidineOprea1_0636362,4-bis[(2-methylpropan-2-yl)oxy]-5-thiophen-3-ylpyrimidineAI-942/13332083
Database identifiers
- CAS
109299-82-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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