N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide

C8H13NS — CID 143306518

IUPACN-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide
SMILESC/C=C\C=C/CNC(C)=S
InChIInChI=1S/C8H13NS/c1-3-4-5-6-7-9-8(2)10/h3-6H,7H2,1-2H3,(H,9,10)/b4-3-,6-5-
InChIKeyUNLHUNKKAFEJEJ-OUPQRBNQSA-N
MW155.27 g/mol
LogP2.06
Rot. Bonds3

About N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide

N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide (PubChem CID 143306518) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide
PubChem CID143306518
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide
SMILESC/C=C\C=C/CNC(C)=S
InChIInChI=1S/C8H13NS/c1-3-4-5-6-7-9-8(2)10/h3-6H,7H2,1-2H3,(H,9,10)/b4-3-,6-5-
InChIKeyUNLHUNKKAFEJEJ-OUPQRBNQSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide?
The IUPAC name of N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide (CID 143306518) is N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide.
What is the SMILES notation for N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide?
The canonical SMILES for N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide is C/C=C\C=C/CNC(C)=S.
What is the InChIKey of N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide?
The InChIKey is UNLHUNKKAFEJEJ-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-5-6-7-9-8(2)10/h3-6H,7H2,1-2H3,(H,9,10)/b4-3-,6-5-.
What are the key properties of N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide?
N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide has a molecular weight of 155.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hexa-2,4-dienyl]ethanethioamide is sourced from PubChem (CID 143306518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).