ethyl N-ethenylmethanimidothioate

C5H9NS — CID 88935172

IUPACethyl N-ethenylmethanimidothioate
SMILESC=C/N=C/SCC
InChIInChI=1S/C5H9NS/c1-3-6-5-7-4-2/h3,5H,1,4H2,2H3/b6-5+
InChIKeyCNFJYXVMECGOEI-AATRIKPKSA-N
MW115.20 g/mol
LogP1.91
Rot. Bonds3

About ethyl N-ethenylmethanimidothioate

ethyl N-ethenylmethanimidothioate (PubChem CID 88935172) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is ethyl N-ethenylmethanimidothioate.

Molecular Properties

Compound Nameethyl N-ethenylmethanimidothioate
PubChem CID88935172
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Nameethyl N-ethenylmethanimidothioate
SMILESC=C/N=C/SCC
InChIInChI=1S/C5H9NS/c1-3-6-5-7-4-2/h3,5H,1,4H2,2H3/b6-5+
InChIKeyCNFJYXVMECGOEI-AATRIKPKSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 ethyl N-ethenylmethanimidothioate?
The IUPAC name of ethyl N-ethenylmethanimidothioate (CID 88935172) is ethyl N-ethenylmethanimidothioate.
What is the SMILES notation for ethyl N-ethenylmethanimidothioate?
The canonical SMILES for ethyl N-ethenylmethanimidothioate is C=C/N=C/SCC.
What is the InChIKey of ethyl N-ethenylmethanimidothioate?
The InChIKey is CNFJYXVMECGOEI-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-6-5-7-4-2/h3,5H,1,4H2,2H3/b6-5+.
What are the key properties of ethyl N-ethenylmethanimidothioate?
ethyl N-ethenylmethanimidothioate has a molecular weight of 115.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenylmethanimidothioate is sourced from PubChem (CID 88935172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).