S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate

C10H21NOSSi — CID 87248717

IUPACS-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate
SMILESCCSC(=O)/C=C(/C)N(C)[Si](C)(C)C
InChIInChI=1S/C10H21NOSSi/c1-7-13-10(12)8-9(2)11(3)14(4,5)6/h8H,7H2,1-6H3/b9-8-
InChIKeyGPBOLNZHZCCCSQ-HJWRWDBZSA-N
MW231.44 g/mol
LogP2.94
Rot. Bonds4

About S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate

S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate (PubChem CID 87248717) has the molecular formula C10H21NOSSi and a molecular weight of 231.44 g/mol. Its IUPAC name is S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate.

Molecular Properties

Compound NameS-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate
PubChem CID87248717
Molecular FormulaC10H21NOSSi
Molecular Weight231.44 g/mol
Exact Mass231.11
IUPAC NameS-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate
SMILESCCSC(=O)/C=C(/C)N(C)[Si](C)(C)C
InChIInChI=1S/C10H21NOSSi/c1-7-13-10(12)8-9(2)11(3)14(4,5)6/h8H,7H2,1-6H3/b9-8-
InChIKeyGPBOLNZHZCCCSQ-HJWRWDBZSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate?
The IUPAC name of S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate (CID 87248717) is S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate.
What is the SMILES notation for S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate?
The canonical SMILES for S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate is CCSC(=O)/C=C(/C)N(C)[Si](C)(C)C.
What is the InChIKey of S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate?
The InChIKey is GPBOLNZHZCCCSQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H21NOSSi/c1-7-13-10(12)8-9(2)11(3)14(4,5)6/h8H,7H2,1-6H3/b9-8-.
What are the key properties of S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate?
S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate has a molecular weight of 231.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl (Z)-3-[methyl(trimethylsilyl)amino]but-2-enethioate is sourced from PubChem (CID 87248717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).