S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate

C15H26O4SSi — CID 14930975

IUPACS-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate
SMILESCCSC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)c1ccco1
InChIInChI=1S/C15H26O4SSi/c1-7-20-14(17)13(12(16)11-9-8-10-18-11)19-21(5,6)15(2,3)4/h8-10,12-13,16H,7H2,1-6H3/t12-,13+/m1/s1
InChIKeyIJJCTBQLKZLFOF-OLZOCXBDSA-N
MW330.52 g/mol
LogP3.98
Rot. Bonds6

About S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate

S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate (PubChem CID 14930975) has the molecular formula C15H26O4SSi and a molecular weight of 330.52 g/mol. Its IUPAC name is S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate.

Molecular Properties

Compound NameS-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate
PubChem CID14930975
Molecular FormulaC15H26O4SSi
Molecular Weight330.52 g/mol
Exact Mass330.13
IUPAC NameS-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate
SMILESCCSC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)c1ccco1
InChIInChI=1S/C15H26O4SSi/c1-7-20-14(17)13(12(16)11-9-8-10-18-11)19-21(5,6)15(2,3)4/h8-10,12-13,16H,7H2,1-6H3/t12-,13+/m1/s1
InChIKeyIJJCTBQLKZLFOF-OLZOCXBDSA-N
XLogP3.98
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

S-ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylpropanethioate
CID 134931464
S-ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanethioate
CID 10850104
S-ethyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanethioate
CID 102374118
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
CID 12071973
N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide
CID 101089540
6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
CID 11415303
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-3-phenylsulfanylpropanoate
CID 138975548
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate
CID 135068796
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499

Frequently Asked Questions

What is the IUPAC name of S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate?
The IUPAC name of S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate (CID 14930975) is S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate.
What is the SMILES notation for S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate?
The canonical SMILES for S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate is CCSC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)c1ccco1.
What is the InChIKey of S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate?
The InChIKey is IJJCTBQLKZLFOF-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26O4SSi/c1-7-20-14(17)13(12(16)11-9-8-10-18-11)19-21(5,6)15(2,3)4/h8-10,12-13,16H,7H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate?
S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate has a molecular weight of 330.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxypropanethioate is sourced from PubChem (CID 14930975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).