ethenyl N-but-1-en-2-ylethanimidothioate

C8H13NS — CID 143185980

IUPACethenyl N-but-1-en-2-ylethanimidothioate
SMILESC=CS/C(C)=N/C(=C)CC
InChIInChI=1S/C8H13NS/c1-5-7(3)9-8(4)10-6-2/h6H,2-3,5H2,1,4H3/b9-8+
InChIKeyWDXYFPUQDZQFRU-CMDGGOBGSA-N
MW155.27 g/mol
LogP3.21
Rot. Bonds3

About ethenyl N-but-1-en-2-ylethanimidothioate

ethenyl N-but-1-en-2-ylethanimidothioate (PubChem CID 143185980) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is ethenyl N-but-1-en-2-ylethanimidothioate.

Molecular Properties

Compound Nameethenyl N-but-1-en-2-ylethanimidothioate
PubChem CID143185980
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Nameethenyl N-but-1-en-2-ylethanimidothioate
SMILESC=CS/C(C)=N/C(=C)CC
InChIInChI=1S/C8H13NS/c1-5-7(3)9-8(4)10-6-2/h6H,2-3,5H2,1,4H3/b9-8+
InChIKeyWDXYFPUQDZQFRU-CMDGGOBGSA-N
XLogP3.21
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 ≤ 53.21
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-(3-methylbut-1-en-2-yl)ethanimidothioate
CID 89034181
methyl N-prop-1-en-2-ylethanimidothioate
CID 89049845
ethyl N-prop-1-en-2-ylethanimidothioate
CID 138528238
[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate
CID 138539262
ethane;methyl N-but-1-en-2-ylethanimidothioate
CID 143478974
methyl (Z)-N-prop-1-en-2-ylbut-2-enimidothioate
CID 143507681
1-But-1-enyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 172835345
methyl N-but-1-en-2-ylethanimidothioate
CID 143478975

Frequently Asked Questions

What is the IUPAC name of ethenyl N-but-1-en-2-ylethanimidothioate?
The IUPAC name of ethenyl N-but-1-en-2-ylethanimidothioate (CID 143185980) is ethenyl N-but-1-en-2-ylethanimidothioate.
What is the SMILES notation for ethenyl N-but-1-en-2-ylethanimidothioate?
The canonical SMILES for ethenyl N-but-1-en-2-ylethanimidothioate is C=CS/C(C)=N/C(=C)CC.
What is the InChIKey of ethenyl N-but-1-en-2-ylethanimidothioate?
The InChIKey is WDXYFPUQDZQFRU-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-7(3)9-8(4)10-6-2/h6H,2-3,5H2,1,4H3/b9-8+.
What are the key properties of ethenyl N-but-1-en-2-ylethanimidothioate?
ethenyl N-but-1-en-2-ylethanimidothioate has a molecular weight of 155.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-but-1-en-2-ylethanimidothioate is sourced from PubChem (CID 143185980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).