6a-(Hydroxymethyl)-2-phenyltetrahydrofuro(3,4-d)(1,3)thiazol-4(2H)-one
Basic information
- CAS
4063-32-5- Standard SMILES
O=C1OCC2(CO)SC(c3ccccc3)NC12- InChIKey
BFOKIVXRLAGCCU-UHFFFAOYSA-N- Molecular formula
- C12H13NO3S
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.06161445
Names & identifiers
- Preferred name
- 6a-(Hydroxymethyl)-2-phenyltetrahydrofuro(3,4-d)(1,3)thiazol-4(2H)-one
- IUPAC
- 6a-(hydroxymethyl)-2-phenyl-2,3,3a,6-tetrahydrofuro[3,4-d][1,3]thiazol-4-one
Names & synonyms
4063-32-56a-(Hydroxymethyl)-2-phenyltetrahydrofuro(3,4-d)(1,3)thiazol-4(2H)-oneNSC151740NSC 1517406a-(Hydroxymethyl)-2-phenyltetrahydrofuro[3,4-d][1,3]thiazol-4(2H)-oneDTXSID70961033NSC-1517406a-(hydroxymethyl)-2-phenyl-2,3,3a,6-tetrahydrofuro[3,4-d]thiazol-4-one
Database identifiers
- CAS
4063-32-5- PubChem CID
- 289564
- DTXSID
DTXSID70961033
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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