1-aminoethenyl N-methylethanimidothioate

C5H10N2S — CID 154517185

IUPAC1-aminoethenyl N-methylethanimidothioate
SMILESC=C(N)S/C(C)=N/C
InChIInChI=1S/C5H10N2S/c1-4(6)8-5(2)7-3/h1,6H2,2-3H3/b7-5+
InChIKeyWKOHXYZHEOOSHJ-FNORWQNLSA-N
MW130.22 g/mol
LogP1.20
Rot. Bonds1

About 1-aminoethenyl N-methylethanimidothioate

1-aminoethenyl N-methylethanimidothioate (PubChem CID 154517185) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-aminoethenyl N-methylethanimidothioate.

Molecular Properties

Compound Name1-aminoethenyl N-methylethanimidothioate
PubChem CID154517185
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-aminoethenyl N-methylethanimidothioate
SMILESC=C(N)S/C(C)=N/C
InChIInChI=1S/C5H10N2S/c1-4(6)8-5(2)7-3/h1,6H2,2-3H3/b7-5+
InChIKeyWKOHXYZHEOOSHJ-FNORWQNLSA-N
XLogP1.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.20
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 1-aminoethenyl N-methylethanimidothioate?
The IUPAC name of 1-aminoethenyl N-methylethanimidothioate (CID 154517185) is 1-aminoethenyl N-methylethanimidothioate.
What is the SMILES notation for 1-aminoethenyl N-methylethanimidothioate?
The canonical SMILES for 1-aminoethenyl N-methylethanimidothioate is C=C(N)S/C(C)=N/C.
What is the InChIKey of 1-aminoethenyl N-methylethanimidothioate?
The InChIKey is WKOHXYZHEOOSHJ-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(6)8-5(2)7-3/h1,6H2,2-3H3/b7-5+.
What are the key properties of 1-aminoethenyl N-methylethanimidothioate?
1-aminoethenyl N-methylethanimidothioate has a molecular weight of 130.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethenyl N-methylethanimidothioate is sourced from PubChem (CID 154517185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).