ethenyl N-butan-2-ylethanimidothioate

C8H15NS — CID 159284390

IUPACethenyl N-butan-2-ylethanimidothioate
SMILESC=CS/C(C)=N/C(C)CC
InChIInChI=1S/C8H15NS/c1-5-7(3)9-8(4)10-6-2/h6-7H,2,5H2,1,3-4H3/b9-8+
InChIKeyKZIAVMXNUIOLMS-CMDGGOBGSA-N
MW157.28 g/mol
LogP3.08
Rot. Bonds3

About ethenyl N-butan-2-ylethanimidothioate

ethenyl N-butan-2-ylethanimidothioate (PubChem CID 159284390) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is ethenyl N-butan-2-ylethanimidothioate.

Molecular Properties

Compound Nameethenyl N-butan-2-ylethanimidothioate
PubChem CID159284390
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Nameethenyl N-butan-2-ylethanimidothioate
SMILESC=CS/C(C)=N/C(C)CC
InChIInChI=1S/C8H15NS/c1-5-7(3)9-8(4)10-6-2/h6-7H,2,5H2,1,3-4H3/b9-8+
InChIKeyKZIAVMXNUIOLMS-CMDGGOBGSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 53.08
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 ethenyl N-butan-2-ylethanimidothioate?
The IUPAC name of ethenyl N-butan-2-ylethanimidothioate (CID 159284390) is ethenyl N-butan-2-ylethanimidothioate.
What is the SMILES notation for ethenyl N-butan-2-ylethanimidothioate?
The canonical SMILES for ethenyl N-butan-2-ylethanimidothioate is C=CS/C(C)=N/C(C)CC.
What is the InChIKey of ethenyl N-butan-2-ylethanimidothioate?
The InChIKey is KZIAVMXNUIOLMS-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-7(3)9-8(4)10-6-2/h6-7H,2,5H2,1,3-4H3/b9-8+.
What are the key properties of ethenyl N-butan-2-ylethanimidothioate?
ethenyl N-butan-2-ylethanimidothioate has a molecular weight of 157.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-butan-2-ylethanimidothioate is sourced from PubChem (CID 159284390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).