ethyl 2-tert-butylsulfanylethanimidate

C8H17NOS — CID 54468056

IUPACethyl 2-tert-butylsulfanylethanimidate
SMILES[H]/N=C(/CSC(C)(C)C)OCC
InChIInChI=1S/C8H17NOS/c1-5-10-7(9)6-11-8(2,3)4/h9H,5-6H2,1-4H3/b9-7-
InChIKeyXGIZLGUQQHGRHJ-CLFYSBASSA-N
MW175.30 g/mol
LogP2.53
Rot. Bonds3

About ethyl 2-tert-butylsulfanylethanimidate

ethyl 2-tert-butylsulfanylethanimidate (PubChem CID 54468056) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is ethyl 2-tert-butylsulfanylethanimidate.

Molecular Properties

Compound Nameethyl 2-tert-butylsulfanylethanimidate
PubChem CID54468056
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Nameethyl 2-tert-butylsulfanylethanimidate
SMILES[H]/N=C(/CSC(C)(C)C)OCC
InChIInChI=1S/C8H17NOS/c1-5-10-7(9)6-11-8(2,3)4/h9H,5-6H2,1-4H3/b9-7-
InChIKeyXGIZLGUQQHGRHJ-CLFYSBASSA-N
XLogP2.53
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 2-tert-butylsulfanylethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 53403808
CID 53403808
CID 86200561
CID 86200561
CID 54283054
CID 54283054
CID 85647355
CID 85647355
CID 88478922
CID 88478922
CID 141792319
CID 141792319
CID 175191176
CID 175191176
CID 15937857
CID 15937857
CID 65127614
CID 65127614
CID 65128997
CID 65128997
CID 65132028
CID 65132028
CID 65132416
CID 65132416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butylsulfanylethanimidate?
The IUPAC name of ethyl 2-tert-butylsulfanylethanimidate (CID 54468056) is ethyl 2-tert-butylsulfanylethanimidate.
What is the SMILES notation for ethyl 2-tert-butylsulfanylethanimidate?
The canonical SMILES for ethyl 2-tert-butylsulfanylethanimidate is [H]/N=C(/CSC(C)(C)C)OCC.
What is the InChIKey of ethyl 2-tert-butylsulfanylethanimidate?
The InChIKey is XGIZLGUQQHGRHJ-CLFYSBASSA-N. The full InChI is InChI=1S/C8H17NOS/c1-5-10-7(9)6-11-8(2,3)4/h9H,5-6H2,1-4H3/b9-7-.
What are the key properties of ethyl 2-tert-butylsulfanylethanimidate?
ethyl 2-tert-butylsulfanylethanimidate has a molecular weight of 175.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butylsulfanylethanimidate is sourced from PubChem (CID 54468056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).