ethenyl N-methylethanimidothioate

C5H9NS — CID 88529838

IUPACethenyl N-methylethanimidothioate
SMILESC=CS/C(C)=N/C
InChIInChI=1S/C5H9NS/c1-4-7-5(2)6-3/h4H,1H2,2-3H3/b6-5+
InChIKeyAYIAQRJPIBPYMF-AATRIKPKSA-N
MW115.20 g/mol
LogP1.91
Rot. Bonds1

About ethenyl N-methylethanimidothioate

ethenyl N-methylethanimidothioate (PubChem CID 88529838) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is ethenyl N-methylethanimidothioate.

Molecular Properties

Compound Nameethenyl N-methylethanimidothioate
PubChem CID88529838
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Nameethenyl N-methylethanimidothioate
SMILESC=CS/C(C)=N/C
InChIInChI=1S/C5H9NS/c1-4-7-5(2)6-3/h4H,1H2,2-3H3/b6-5+
InChIKeyAYIAQRJPIBPYMF-AATRIKPKSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.91
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 ethenyl N-methylethanimidothioate?
The IUPAC name of ethenyl N-methylethanimidothioate (CID 88529838) is ethenyl N-methylethanimidothioate.
What is the SMILES notation for ethenyl N-methylethanimidothioate?
The canonical SMILES for ethenyl N-methylethanimidothioate is C=CS/C(C)=N/C.
What is the InChIKey of ethenyl N-methylethanimidothioate?
The InChIKey is AYIAQRJPIBPYMF-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-7-5(2)6-3/h4H,1H2,2-3H3/b6-5+.
What are the key properties of ethenyl N-methylethanimidothioate?
ethenyl N-methylethanimidothioate has a molecular weight of 115.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-methylethanimidothioate is sourced from PubChem (CID 88529838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).