ethyl 2-methyl-2-methylsulfanylpropanimidate

C7H15NOS — CID 127002655

IUPACethyl 2-methyl-2-methylsulfanylpropanimidate
SMILES[H]/N=C(\OCC)C(C)(C)SC
InChIInChI=1S/C7H15NOS/c1-5-9-6(8)7(2,3)10-4/h8H,5H2,1-4H3/b8-6-
InChIKeyFSODDWHMSUSWFG-VURMDHGXSA-N
MW161.27 g/mol
LogP2.14
Rot. Bonds3

About ethyl 2-methyl-2-methylsulfanylpropanimidate

ethyl 2-methyl-2-methylsulfanylpropanimidate (PubChem CID 127002655) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is ethyl 2-methyl-2-methylsulfanylpropanimidate.

Molecular Properties

Compound Nameethyl 2-methyl-2-methylsulfanylpropanimidate
PubChem CID127002655
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Nameethyl 2-methyl-2-methylsulfanylpropanimidate
SMILES[H]/N=C(\OCC)C(C)(C)SC
InChIInChI=1S/C7H15NOS/c1-5-9-6(8)7(2,3)10-4/h8H,5H2,1-4H3/b8-6-
InChIKeyFSODDWHMSUSWFG-VURMDHGXSA-N
XLogP2.14
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-methylsulfanylpropanimidate?
The IUPAC name of ethyl 2-methyl-2-methylsulfanylpropanimidate (CID 127002655) is ethyl 2-methyl-2-methylsulfanylpropanimidate.
What is the SMILES notation for ethyl 2-methyl-2-methylsulfanylpropanimidate?
The canonical SMILES for ethyl 2-methyl-2-methylsulfanylpropanimidate is [H]/N=C(\OCC)C(C)(C)SC.
What is the InChIKey of ethyl 2-methyl-2-methylsulfanylpropanimidate?
The InChIKey is FSODDWHMSUSWFG-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15NOS/c1-5-9-6(8)7(2,3)10-4/h8H,5H2,1-4H3/b8-6-.
What are the key properties of ethyl 2-methyl-2-methylsulfanylpropanimidate?
ethyl 2-methyl-2-methylsulfanylpropanimidate has a molecular weight of 161.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-methylsulfanylpropanimidate is sourced from PubChem (CID 127002655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).