5-tert-Butoxy-2-thiophenethiol
Basic information
- CAS
54789-36-5- Standard SMILES
CC(C)(C)Oc1ccc(S)s1- InChIKey
RBNOGBNNXDHPCW-UHFFFAOYSA-N- Molecular formula
- C8H12OS2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.03295735
Names & identifiers
- Preferred name
- 5-tert-Butoxy-2-thiophenethiol
- IUPAC
- 5-[(2-methylpropan-2-yl)oxy]thiophene-2-thiol
Names & synonyms
5-tert-Butoxy-2-thiophenethiol54789-36-5DTXSID20291473RefChem:304892DTXCID70242617NSC757682-Thiophenethiol, 5-(1,1-dimethylethoxy)-5-tert-Butoxythiophene-2-thiolRBNOGBNNXDHPCW-UHFFFAOYSA-N5-tert-Butoxy-2-thiophenethiol #2-Thiophenethiol,1-dimethylethoxy)-NSC-75768
Database identifiers
- CAS
54789-36-5- PubChem CID
- 253185
- DTXSID
DTXSID20291473- Nikkaji
- J103.808G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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