ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate

C11H23N3O2SSi — CID 102400167

IUPACethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate
SMILESCCOC(=O)/C(=N/NC(N)=S)[Si](CC)(CC)CC
InChIInChI=1S/C11H23N3O2SSi/c1-5-16-10(15)9(13-14-11(12)17)18(6-2,7-3)8-4/h5-8H2,1-4H3,(H3,12,14,17)/b13-9-
InChIKeyRHFJAZKZIGYFGX-LCYFTJDESA-N
MW289.48 g/mol
LogP1.79
Rot. Bonds7

About ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate

ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate (PubChem CID 102400167) has the molecular formula C11H23N3O2SSi and a molecular weight of 289.48 g/mol. Its IUPAC name is ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate
PubChem CID102400167
Molecular FormulaC11H23N3O2SSi
Molecular Weight289.48 g/mol
Exact Mass289.13
IUPAC Nameethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate
SMILESCCOC(=O)/C(=N/NC(N)=S)[Si](CC)(CC)CC
InChIInChI=1S/C11H23N3O2SSi/c1-5-16-10(15)9(13-14-11(12)17)18(6-2,7-3)8-4/h5-8H2,1-4H3,(H3,12,14,17)/b13-9-
InChIKeyRHFJAZKZIGYFGX-LCYFTJDESA-N
XLogP1.79
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z,3E)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dimethylphenyl)hydrazinylidene]butanoate
CID 98518090
diethyl 2-(carbamoylhydrazinylidene)butanedioate
CID 131879435
ethyl 3-(carbamothioylhydrazinylidene)-2-[(3,4-dimethylphenyl)hydrazinylidene]butanoate
CID 6812829
ethyl (2Z,3E)-3-(carbamothioylhydrazinylidene)-2-(phenylhydrazinylidene)butanoate
CID 98518108
benzyl (2Z)-2-(carbamothioylhydrazinylidene)-2-[dimethyl(phenyl)silyl]acetate
CID 102400172
[(Z)-1,1-diethoxypropan-2-ylideneamino]thiourea
CID 6305857
ethyl (2E,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-methoxyphenyl)hydrazinylidene]butanoate
CID 98518100
[(E)-3-oxobutan-2-ylideneamino]thiourea
CID 12861991
ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
CID 15561703
ethyl (3E)-3-(carbamoylhydrazinylidene)-2-oxobutanoate
CID 10845739
ethyl 2-bromo-2-(methylhydrazinylidene)acetate
CID 86223130
diethyl 2-methyliminopropanedioate
CID 86205419

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate?
The IUPAC name of ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate (CID 102400167) is ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate.
What is the SMILES notation for ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate?
The canonical SMILES for ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate is CCOC(=O)/C(=N/NC(N)=S)[Si](CC)(CC)CC.
What is the InChIKey of ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate?
The InChIKey is RHFJAZKZIGYFGX-LCYFTJDESA-N. The full InChI is InChI=1S/C11H23N3O2SSi/c1-5-16-10(15)9(13-14-11(12)17)18(6-2,7-3)8-4/h5-8H2,1-4H3,(H3,12,14,17)/b13-9-.
What are the key properties of ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate?
ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate has a molecular weight of 289.48 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate is sourced from PubChem (CID 102400167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).