ethenyl N-methylpropanimidothioate

C6H11NS — CID 142207543

IUPACethenyl N-methylpropanimidothioate
SMILESC=CS/C(CC)=N/C
InChIInChI=1S/C6H11NS/c1-4-6(7-3)8-5-2/h5H,2,4H2,1,3H3/b7-6+
InChIKeyORUGJDXMRNAHMT-VOTSOKGWSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds2

About ethenyl N-methylpropanimidothioate

ethenyl N-methylpropanimidothioate (PubChem CID 142207543) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is ethenyl N-methylpropanimidothioate.

Molecular Properties

Compound Nameethenyl N-methylpropanimidothioate
PubChem CID142207543
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Nameethenyl N-methylpropanimidothioate
SMILESC=CS/C(CC)=N/C
InChIInChI=1S/C6H11NS/c1-4-6(7-3)8-5-2/h5H,2,4H2,1,3H3/b7-6+
InChIKeyORUGJDXMRNAHMT-VOTSOKGWSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

methyl N-methylpropanimidothioate
CID 14192813
methyl N-methylbutanimidothioate
CID 14433468
ethenyl N-methylethanimidothioate
CID 88529838
ethenyl N-ethyl-2-methylpropanimidothioate
CID 88884472
[(E)-prop-1-enyl] N-methylethanimidothioate
CID 89266207
methyl N-ethenylpropanimidothioate
CID 123143732
ethyl N-methylpropanimidothioate
CID 123780408
prop-1-enyl N-methylethanimidothioate
CID 124034581
ethenyl N,2-dimethylpropanimidothioate
CID 130469912
ethenyl N-ethenylpropanimidothioate
CID 134340395
ethane;ethenyl N-methylethanimidothioate
CID 142889079
propa-1,2-dienyl N-methylethanimidothioate
CID 143701509

Frequently Asked Questions

What is the IUPAC name of ethenyl N-methylpropanimidothioate?
The IUPAC name of ethenyl N-methylpropanimidothioate (CID 142207543) is ethenyl N-methylpropanimidothioate.
What is the SMILES notation for ethenyl N-methylpropanimidothioate?
The canonical SMILES for ethenyl N-methylpropanimidothioate is C=CS/C(CC)=N/C.
What is the InChIKey of ethenyl N-methylpropanimidothioate?
The InChIKey is ORUGJDXMRNAHMT-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-6(7-3)8-5-2/h5H,2,4H2,1,3H3/b7-6+.
What are the key properties of ethenyl N-methylpropanimidothioate?
ethenyl N-methylpropanimidothioate has a molecular weight of 129.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-methylpropanimidothioate is sourced from PubChem (CID 142207543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).