[(E)-prop-1-enyl] N-methylethanimidothioate

C6H11NS — CID 89266207

IUPAC[(E)-prop-1-enyl] N-methylethanimidothioate
SMILESC/C=C/S/C(C)=N/C
InChIInChI=1S/C6H11NS/c1-4-5-8-6(2)7-3/h4-5H,1-3H3/b5-4+,7-6+
InChIKeyDKBWTKBWRZOUDF-YTXTXJHMSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds1

About [(E)-prop-1-enyl] N-methylethanimidothioate

[(E)-prop-1-enyl] N-methylethanimidothioate (PubChem CID 89266207) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is [(E)-prop-1-enyl] N-methylethanimidothioate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] N-methylethanimidothioate
PubChem CID89266207
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name[(E)-prop-1-enyl] N-methylethanimidothioate
SMILESC/C=C/S/C(C)=N/C
InChIInChI=1S/C6H11NS/c1-4-5-8-6(2)7-3/h4-5H,1-3H3/b5-4+,7-6+
InChIKeyDKBWTKBWRZOUDF-YTXTXJHMSA-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 [(E)-prop-1-enyl] N-methylethanimidothioate?
The IUPAC name of [(E)-prop-1-enyl] N-methylethanimidothioate (CID 89266207) is [(E)-prop-1-enyl] N-methylethanimidothioate.
What is the SMILES notation for [(E)-prop-1-enyl] N-methylethanimidothioate?
The canonical SMILES for [(E)-prop-1-enyl] N-methylethanimidothioate is C/C=C/S/C(C)=N/C.
What is the InChIKey of [(E)-prop-1-enyl] N-methylethanimidothioate?
The InChIKey is DKBWTKBWRZOUDF-YTXTXJHMSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-5-8-6(2)7-3/h4-5H,1-3H3/b5-4+,7-6+.
What are the key properties of [(E)-prop-1-enyl] N-methylethanimidothioate?
[(E)-prop-1-enyl] N-methylethanimidothioate 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 [(E)-prop-1-enyl] N-methylethanimidothioate is sourced from PubChem (CID 89266207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).