Basic information
- CAS
125507-51-9- Standard SMILES
CC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H]2[C@H]1C(=O)CS2(=O)=O- InChIKey
KYHJMBIQAKCGAC-XQQFMLRXSA-N- Molecular formula
- C14H24O4SSi
- Average molar mass
- 316.49 g/mol
- Monoisotopic mass
- 316.11645695
Overview
component of breynins A & B which exhibit hypocholesteremic activity in mammals; structure given in first source
Names & identifiers
- Preferred name
- 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one
- IUPAC
- (3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxo-3a,4,7,7a-tetrahydro-1-benzothiophen-3-one
- English name
- 4-(tert-butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one
- Molecular formula
- C14H24O4SSi
- Molecular weight
- 316.48846
Names & synonyms
Bdstto125507-51-94-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-oneRefChem:97575DTXSID10925159(3aR,4S,7aR)-4-{[tert-Butyldi(methyl)silyl]oxy}-3a,4,7,7a-tetrahydro-1H-1lambda~6~-benzothiophene-1,1,3(2H)-trione4-{[tert-Butyl(dimethyl)silyl]oxy}-3a,4,7,7a-tetrahydro-1H-1-benzothiophene-1,1,3(2H)-trione
Database identifiers
- CAS
125507-51-9- PubChem CID
- 195437
- DTXSID
DTXSID10925159
Properties
Computed structural properties
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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