ethyl N-methylethanimidothioate

C5H11NS — CID 59844960

IUPACethyl N-methylethanimidothioate
SMILESCCS/C(C)=N/C
InChIInChI=1S/C5H11NS/c1-4-7-5(2)6-3/h4H2,1-3H3/b6-5+
InChIKeyUNNRHVPKODYENU-AATRIKPKSA-N
MW117.22 g/mol
LogP1.79
Rot. Bonds1

About ethyl N-methylethanimidothioate

ethyl N-methylethanimidothioate (PubChem CID 59844960) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is ethyl N-methylethanimidothioate.

Molecular Properties

Compound Nameethyl N-methylethanimidothioate
PubChem CID59844960
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Nameethyl N-methylethanimidothioate
SMILESCCS/C(C)=N/C
InChIInChI=1S/C5H11NS/c1-4-7-5(2)6-3/h4H2,1-3H3/b6-5+
InChIKeyUNNRHVPKODYENU-AATRIKPKSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methylethanimidothioate?
The IUPAC name of ethyl N-methylethanimidothioate (CID 59844960) is ethyl N-methylethanimidothioate.
What is the SMILES notation for ethyl N-methylethanimidothioate?
The canonical SMILES for ethyl N-methylethanimidothioate is CCS/C(C)=N/C.
What is the InChIKey of ethyl N-methylethanimidothioate?
The InChIKey is UNNRHVPKODYENU-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-7-5(2)6-3/h4H2,1-3H3/b6-5+.
What are the key properties of ethyl N-methylethanimidothioate?
ethyl N-methylethanimidothioate has a molecular weight of 117.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylethanimidothioate is sourced from PubChem (CID 59844960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).