ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate

C16H27NO2SSi — CID 56834457

IUPACethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate
SMILESCCS/C(Cc1ccccc1O[Si](C)(C)C(C)(C)C)=N\O
InChIInChI=1S/C16H27NO2SSi/c1-7-20-15(17-18)12-13-10-8-9-11-14(13)19-21(5,6)16(2,3)4/h8-11,18H,7,12H2,1-6H3/b17-15-
InChIKeyLTUNDVIFIZPPHA-ICFOKQHNSA-N
MW325.55 g/mol
LogP5.15
Rot. Bonds5

About ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate

ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate (PubChem CID 56834457) has the molecular formula C16H27NO2SSi and a molecular weight of 325.55 g/mol. Its IUPAC name is ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate.

Molecular Properties

Compound Nameethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate
PubChem CID56834457
Molecular FormulaC16H27NO2SSi
Molecular Weight325.55 g/mol
Exact Mass325.15
IUPAC Nameethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate
SMILESCCS/C(Cc1ccccc1O[Si](C)(C)C(C)(C)C)=N\O
InChIInChI=1S/C16H27NO2SSi/c1-7-20-15(17-18)12-13-10-8-9-11-14(13)19-21(5,6)16(2,3)4/h8-11,18H,7,12H2,1-6H3/b17-15-
InChIKeyLTUNDVIFIZPPHA-ICFOKQHNSA-N
XLogP5.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 53344193
4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
CID 67215564
(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
CID 59857614
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine
CID 167725875
2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]ethanol
CID 146166950
magnesium;tert-butyl-(2-methanidylphenoxy)-dimethylsilane;bromide
CID 155934536
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid
CID 77231463
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-C-[[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-N-sulfooxycarbonimidoyl]sulfanyloxan-2-yl]methyl acetate
CID 56834555
5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal
CID 139843596

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate?
The IUPAC name of ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate (CID 56834457) is ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate.
What is the SMILES notation for ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate?
The canonical SMILES for ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate is CCS/C(Cc1ccccc1O[Si](C)(C)C(C)(C)C)=N\O.
What is the InChIKey of ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate?
The InChIKey is LTUNDVIFIZPPHA-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H27NO2SSi/c1-7-20-15(17-18)12-13-10-8-9-11-14(13)19-21(5,6)16(2,3)4/h8-11,18H,7,12H2,1-6H3/b17-15-.
What are the key properties of ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate?
ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate has a molecular weight of 325.55 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate is sourced from PubChem (CID 56834457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).