prop-1-en-2-yl N-methylmethanimidothioate

C5H9NS — CID 89275037

IUPACprop-1-en-2-yl N-methylmethanimidothioate
SMILESC=C(C)S/C=N/C
InChIInChI=1S/C5H9NS/c1-5(2)7-4-6-3/h4H,1H2,2-3H3/b6-4+
InChIKeyNWPPPTZRCPHQPP-GQCTYLIASA-N
MW115.20 g/mol
LogP1.91
Rot. Bonds2

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

prop-1-en-2-yl N-methylmethanimidothioate (PubChem CID 89275037) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is prop-1-en-2-yl N-methylmethanimidothioate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-methylmethanimidothioate
PubChem CID89275037
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Nameprop-1-en-2-yl N-methylmethanimidothioate
SMILESC=C(C)S/C=N/C
InChIInChI=1S/C5H9NS/c1-5(2)7-4-6-3/h4H,1H2,2-3H3/b6-4+
InChIKeyNWPPPTZRCPHQPP-GQCTYLIASA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 prop-1-en-2-yl N-methylmethanimidothioate?
The IUPAC name of prop-1-en-2-yl N-methylmethanimidothioate (CID 89275037) is prop-1-en-2-yl N-methylmethanimidothioate.
What is the SMILES notation for prop-1-en-2-yl N-methylmethanimidothioate?
The canonical SMILES for prop-1-en-2-yl N-methylmethanimidothioate is C=C(C)S/C=N/C.
What is the InChIKey of prop-1-en-2-yl N-methylmethanimidothioate?
The InChIKey is NWPPPTZRCPHQPP-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NS/c1-5(2)7-4-6-3/h4H,1H2,2-3H3/b6-4+.
What are the key properties of prop-1-en-2-yl N-methylmethanimidothioate?
prop-1-en-2-yl N-methylmethanimidothioate has a molecular weight of 115.20 g/mol, XLogP of 1.91, 2 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-methylmethanimidothioate is sourced from PubChem (CID 89275037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).