prop-1-en-2-yl N-methylethanimidothioate

C6H11NS — CID 88870299

IUPACprop-1-en-2-yl N-methylethanimidothioate
SMILESC=C(C)S/C(C)=N/C
InChIInChI=1S/C6H11NS/c1-5(2)8-6(3)7-4/h1H2,2-4H3/b7-6+
InChIKeySZOMYCMNLJSYFT-VOTSOKGWSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds1

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

prop-1-en-2-yl N-methylethanimidothioate (PubChem CID 88870299) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is prop-1-en-2-yl N-methylethanimidothioate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-methylethanimidothioate
PubChem CID88870299
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Nameprop-1-en-2-yl N-methylethanimidothioate
SMILESC=C(C)S/C(C)=N/C
InChIInChI=1S/C6H11NS/c1-5(2)8-6(3)7-4/h1H2,2-4H3/b7-6+
InChIKeySZOMYCMNLJSYFT-VOTSOKGWSA-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 prop-1-en-2-yl N-methylethanimidothioate?
The IUPAC name of prop-1-en-2-yl N-methylethanimidothioate (CID 88870299) is prop-1-en-2-yl N-methylethanimidothioate.
What is the SMILES notation for prop-1-en-2-yl N-methylethanimidothioate?
The canonical SMILES for prop-1-en-2-yl N-methylethanimidothioate is C=C(C)S/C(C)=N/C.
What is the InChIKey of prop-1-en-2-yl N-methylethanimidothioate?
The InChIKey is SZOMYCMNLJSYFT-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)8-6(3)7-4/h1H2,2-4H3/b7-6+.
What are the key properties of prop-1-en-2-yl N-methylethanimidothioate?
prop-1-en-2-yl 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 prop-1-en-2-yl N-methylethanimidothioate is sourced from PubChem (CID 88870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).