ethyl 2-propan-2-ylsulfanylethanimidate

C7H15NOS — CID 65132028

IUPACethyl 2-propan-2-ylsulfanylethanimidate
SMILES[H]/N=C(/CSC(C)C)OCC
InChIInChI=1S/C7H15NOS/c1-4-9-7(8)5-10-6(2)3/h6,8H,4-5H2,1-3H3/b8-7-
InChIKeyGMUHQUWWJIVECY-FPLPWBNLSA-N
MW161.27 g/mol
LogP2.14
Rot. Bonds4

About ethyl 2-propan-2-ylsulfanylethanimidate

ethyl 2-propan-2-ylsulfanylethanimidate (PubChem CID 65132028) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is ethyl 2-propan-2-ylsulfanylethanimidate.

Molecular Properties

Compound Nameethyl 2-propan-2-ylsulfanylethanimidate
PubChem CID65132028
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Nameethyl 2-propan-2-ylsulfanylethanimidate
SMILES[H]/N=C(/CSC(C)C)OCC
InChIInChI=1S/C7H15NOS/c1-4-9-7(8)5-10-6(2)3/h6,8H,4-5H2,1-3H3/b8-7-
InChIKeyGMUHQUWWJIVECY-FPLPWBNLSA-N
XLogP2.14
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.14
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'}

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Related Compounds

Ethyl 2-(methylsulfanyl)ethanimidate hydrochloride
CID 85815275
Methyl 3-(methylsulfanyl)propanimidate
CID 13392591
Ethyl 2-(methylsulfanyl)ethanimidate
CID 53403808
Ethyl 3-ethylsulfanylpropanimidate
CID 86200561
Ethyl 2-(2,2,2-trifluoroethylsulfanyl)ethanimidate
CID 21816789
Methyl 2-(methylthio)acetimidate
CID 14860729
Ethyl 2-methoxyethanimidothioate;hydrochloride
CID 20369324
Ethyl 2-methoxyethanimidothioate
CID 20369325
Ethyl 3-sulfanylpropanimidate
CID 53800686
Ethyl 2-(2-methoxyethylsulfanyl)ethanimidate
CID 54283054
Ethyl 2-tert-butylsulfanylethanimidate
CID 54468056
Ethyl 2-tert-butylsulfanylethanimidate;hydrochloride
CID 85647355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-ylsulfanylethanimidate?
The IUPAC name of ethyl 2-propan-2-ylsulfanylethanimidate (CID 65132028) is ethyl 2-propan-2-ylsulfanylethanimidate.
What is the SMILES notation for ethyl 2-propan-2-ylsulfanylethanimidate?
The canonical SMILES for ethyl 2-propan-2-ylsulfanylethanimidate is [H]/N=C(/CSC(C)C)OCC.
What is the InChIKey of ethyl 2-propan-2-ylsulfanylethanimidate?
The InChIKey is GMUHQUWWJIVECY-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-9-7(8)5-10-6(2)3/h6,8H,4-5H2,1-3H3/b8-7-.
What are the key properties of ethyl 2-propan-2-ylsulfanylethanimidate?
ethyl 2-propan-2-ylsulfanylethanimidate has a molecular weight of 161.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-ylsulfanylethanimidate is sourced from PubChem (CID 65132028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).