Basic information
- CAS
36754-08-2- Standard SMILES
CC(C)(C)OC(=O)SCc1ccco1- InChIKey
VHYJTAVLIUIBRT-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636548
Names & identifiers
- Preferred name
- Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester
- IUPAC
- tert-butyl furan-2-ylmethylsulfanylformate
Names & synonyms
O-tert-Butyl S-(2-furanylmethyl) carbonothioateCARBONOTHIOIC ACID, O-(1,1-DIMETHYLETHYL) S-(2-FURANYLMETHYL) ESTER36754-08-2DTXSID40190212RefChem:333539DTXCID50112703SCHEMBL11875124SY569138O-tert-Butyl S-(Furan-2-ylmethyl) CarbonothioateO-tert-Butyl S-[(furan-2-yl)methyl] carbonothioate
Database identifiers
- CAS
36754-08-2- PubChem CID
- 37522
- DTXSID
DTXSID40190212
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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