Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one, 5'-hydroxy-, hydrate
Basic information
- CAS
159553-35-2- Standard SMILES
O=C1CSC2(N1)C1CC3CC2CC(O)(C3)C1- InChIKey
XSPSVNVVYYYHBL-UHFFFAOYSA-N- Molecular formula
- C12H17NO2S
- Average molar mass
- 239.34 g/mol
- Monoisotopic mass
- 239.09799996
Names & identifiers
- Preferred name
- Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one, 5'-hydroxy-, hydrate
- IUPAC
- 1'-hydroxyspiro[1,3-thiazolidine-2,4'-adamantane]-4-one
Names & synonyms
159553-35-25'-Hydroxyspiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one hydrateSpiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one, 5'-hydroxy-, hydrateRefChem:381225Oprea1_411309DTXSID70936125UNM000000502801AE-848/338580281-hydroxy-spiro(adamantane-4,2'-[1,3]thiazolidine)-4'-one5H-Spiro[[1,3]thiazole-2,2'-tricyclo[3.3.1.1~3,7~]decane]-4,5'-diol5H-Spiro[1,3-thiazole-2,2'-tricyclo[3.3.1.1~3,7~]decane]-4,5'-diol
Database identifiers
- CAS
159553-35-2- PubChem CID
- 3074573
- DTXSID
DTXSID70936125
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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