ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate

C14H22ClNSSi — CID 18630346

IUPACethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate
SMILESCC/N=C(\SCC)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C14H22ClNSSi/c1-6-16-14(17-7-2)13-11(15)9-8-10-12(13)18(3,4)5/h8-10H,6-7H2,1-5H3/b16-14-
InChIKeyWNERWMMHBCBIFU-PEZBUJJGSA-N
MW299.94 g/mol
LogP4.40
Rot. Bonds4

About ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate

ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate (PubChem CID 18630346) has the molecular formula C14H22ClNSSi and a molecular weight of 299.94 g/mol. Its IUPAC name is ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate.

Molecular Properties

Compound Nameethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate
PubChem CID18630346
Molecular FormulaC14H22ClNSSi
Molecular Weight299.94 g/mol
Exact Mass299.09
IUPAC Nameethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate
SMILESCC/N=C(\SCC)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C14H22ClNSSi/c1-6-16-14(17-7-2)13-11(15)9-8-10-12(13)18(3,4)5/h8-10H,6-7H2,1-5H3/b16-14-
InChIKeyWNERWMMHBCBIFU-PEZBUJJGSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate?
The IUPAC name of ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate (CID 18630346) is ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate.
What is the SMILES notation for ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate?
The canonical SMILES for ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate is CC/N=C(\SCC)c1c(Cl)cccc1[Si](C)(C)C.
What is the InChIKey of ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate?
The InChIKey is WNERWMMHBCBIFU-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H22ClNSSi/c1-6-16-14(17-7-2)13-11(15)9-8-10-12(13)18(3,4)5/h8-10H,6-7H2,1-5H3/b16-14-.
What are the key properties of ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate?
ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate has a molecular weight of 299.94 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-N-ethyl-6-trimethylsilylbenzenecarboximidothioate is sourced from PubChem (CID 18630346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).