prop-1-en-2-yl N-ethylmethanimidothioate

C6H11NS — CID 145260177

IUPACprop-1-en-2-yl N-ethylmethanimidothioate
SMILESC=C(C)S/C=N/CC
InChIInChI=1S/C6H11NS/c1-4-7-5-8-6(2)3/h5H,2,4H2,1,3H3/b7-5+
InChIKeySCUXNZCRWLWBGO-FNORWQNLSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds3

About prop-1-en-2-yl N-ethylmethanimidothioate

prop-1-en-2-yl N-ethylmethanimidothioate (PubChem CID 145260177) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is prop-1-en-2-yl N-ethylmethanimidothioate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-ethylmethanimidothioate
PubChem CID145260177
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Nameprop-1-en-2-yl N-ethylmethanimidothioate
SMILESC=C(C)S/C=N/CC
InChIInChI=1S/C6H11NS/c1-4-7-5-8-6(2)3/h5H,2,4H2,1,3H3/b7-5+
InChIKeySCUXNZCRWLWBGO-FNORWQNLSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 prop-1-en-2-yl N-ethylmethanimidothioate?
The IUPAC name of prop-1-en-2-yl N-ethylmethanimidothioate (CID 145260177) is prop-1-en-2-yl N-ethylmethanimidothioate.
What is the SMILES notation for prop-1-en-2-yl N-ethylmethanimidothioate?
The canonical SMILES for prop-1-en-2-yl N-ethylmethanimidothioate is C=C(C)S/C=N/CC.
What is the InChIKey of prop-1-en-2-yl N-ethylmethanimidothioate?
The InChIKey is SCUXNZCRWLWBGO-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-7-5-8-6(2)3/h5H,2,4H2,1,3H3/b7-5+.
What are the key properties of prop-1-en-2-yl N-ethylmethanimidothioate?
prop-1-en-2-yl N-ethylmethanimidothioate has a molecular weight of 129.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-ethylmethanimidothioate is sourced from PubChem (CID 145260177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).