ethenyl N-methyl-2-methylidenebutanimidothioate

C8H13NS — CID 157048652

IUPACethenyl N-methyl-2-methylidenebutanimidothioate
SMILESC=CS/C(=N\C)C(=C)CC
InChIInChI=1S/C8H13NS/c1-5-7(3)8(9-4)10-6-2/h6H,2-3,5H2,1,4H3/b9-8-
InChIKeyNABZEKYDVHTEER-HJWRWDBZSA-N
MW155.27 g/mol
LogP2.86
Rot. Bonds3

About ethenyl N-methyl-2-methylidenebutanimidothioate

ethenyl N-methyl-2-methylidenebutanimidothioate (PubChem CID 157048652) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is ethenyl N-methyl-2-methylidenebutanimidothioate.

Molecular Properties

Compound Nameethenyl N-methyl-2-methylidenebutanimidothioate
PubChem CID157048652
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Nameethenyl N-methyl-2-methylidenebutanimidothioate
SMILESC=CS/C(=N\C)C(=C)CC
InChIInChI=1S/C8H13NS/c1-5-7(3)8(9-4)10-6-2/h6H,2-3,5H2,1,4H3/b9-8-
InChIKeyNABZEKYDVHTEER-HJWRWDBZSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.86
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

3-ethylidene-N-methylthiophen-2-imine
CID 123936114
[(E)-3-methylbut-1-enyl] N,2-dimethylpropanimidothioate
CID 134353732
[(E)-2-methylbut-1-enyl] N-methylethanimidothioate
CID 137419322
ethyl N,2-dimethylprop-2-enimidothioate
CID 141968359
ethenyl N,2-dimethylprop-2-enimidothioate
CID 141968360
methyl 2-methylidene-N-(2-methylprop-1-enyl)but-3-enimidothioate
CID 164567227
(3Z)-3-ethylidene-N-methylthiophen-2-imine
CID 164596100
methyl N,3-dimethylbut-3-enimidothioate
CID 167074269
ethenyl (2E,4Z)-2-ethenyl-N-methylhexa-2,4-dienimidothioate
CID 169883010
(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640283

Frequently Asked Questions

What is the IUPAC name of ethenyl N-methyl-2-methylidenebutanimidothioate?
The IUPAC name of ethenyl N-methyl-2-methylidenebutanimidothioate (CID 157048652) is ethenyl N-methyl-2-methylidenebutanimidothioate.
What is the SMILES notation for ethenyl N-methyl-2-methylidenebutanimidothioate?
The canonical SMILES for ethenyl N-methyl-2-methylidenebutanimidothioate is C=CS/C(=N\C)C(=C)CC.
What is the InChIKey of ethenyl N-methyl-2-methylidenebutanimidothioate?
The InChIKey is NABZEKYDVHTEER-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-7(3)8(9-4)10-6-2/h6H,2-3,5H2,1,4H3/b9-8-.
What are the key properties of ethenyl N-methyl-2-methylidenebutanimidothioate?
ethenyl N-methyl-2-methylidenebutanimidothioate has a molecular weight of 155.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-methyl-2-methylidenebutanimidothioate is sourced from PubChem (CID 157048652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).