methyl N-prop-1-enylethanimidothioate

C6H11NS — CID 173482045

IUPACmethyl N-prop-1-enylethanimidothioate
SMILESCC=C/N=C(\C)SC
InChIInChI=1S/C6H11NS/c1-4-5-7-6(2)8-3/h4-5H,1-3H3/b5-4?,7-6+
InChIKeyRAFQZVSHIYDOKW-VFABXPAXSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds1

About methyl N-prop-1-enylethanimidothioate

methyl N-prop-1-enylethanimidothioate (PubChem CID 173482045) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is methyl N-prop-1-enylethanimidothioate.

Molecular Properties

Compound Namemethyl N-prop-1-enylethanimidothioate
PubChem CID173482045
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Namemethyl N-prop-1-enylethanimidothioate
SMILESCC=C/N=C(\C)SC
InChIInChI=1S/C6H11NS/c1-4-5-7-6(2)8-3/h4-5H,1-3H3/b5-4?,7-6+
InChIKeyRAFQZVSHIYDOKW-VFABXPAXSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
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 methyl N-prop-1-enylethanimidothioate?
The IUPAC name of methyl N-prop-1-enylethanimidothioate (CID 173482045) is methyl N-prop-1-enylethanimidothioate.
What is the SMILES notation for methyl N-prop-1-enylethanimidothioate?
The canonical SMILES for methyl N-prop-1-enylethanimidothioate is CC=C/N=C(\C)SC.
What is the InChIKey of methyl N-prop-1-enylethanimidothioate?
The InChIKey is RAFQZVSHIYDOKW-VFABXPAXSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-5-7-6(2)8-3/h4-5H,1-3H3/b5-4?,7-6+.
What are the key properties of methyl N-prop-1-enylethanimidothioate?
methyl N-prop-1-enylethanimidothioate has a molecular weight of 129.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-prop-1-enylethanimidothioate is sourced from PubChem (CID 173482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).