[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate

C9H15NS — CID 139443844

IUPAC[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
SMILESC/C=C\C=C(/C)S/C=N/CC
InChIInChI=1S/C9H15NS/c1-4-6-7-9(3)11-8-10-5-2/h4,6-8H,5H2,1-3H3/b6-4-,9-7+,10-8+
InChIKeyOJDLCKHNTXHBCL-DILYWIELSA-N
MW169.29 g/mol
LogP3.25
Rot. Bonds4

About [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate

[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate (PubChem CID 139443844) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate.

Molecular Properties

Compound Name[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
PubChem CID139443844
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
SMILESC/C=C\C=C(/C)S/C=N/CC
InChIInChI=1S/C9H15NS/c1-4-6-7-9(3)11-8-10-5-2/h4,6-8H,5H2,1-3H3/b6-4-,9-7+,10-8+
InChIKeyOJDLCKHNTXHBCL-DILYWIELSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.25
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate with MolForge

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

Launch Full Analysis

Related Compounds

(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
CID 88929695
(2E,4Z)-N-methyl-3-methylsulfanylhexa-2,4-dien-1-imine
CID 90143961
methyl N-[(2Z)-penta-2,4-dienyl]ethanimidothioate
CID 90248677
5-pent-2-enylidene-4H-1,3-thiazole
CID 123777847
N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine
CID 126582887
[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidothioate
CID 130279093
N-[(2E,4Z)-2-methylsulfanylhexa-2,4-dienyl]methanimine
CID 132263538
ethene;methyl N-[(1Z,3Z)-penta-1,3-dienyl]methanimidothioate
CID 141827466
ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine
CID 142189695
[(2E,4E)-hexa-2,4-dien-3-yl] N-methylmethanimidothioate
CID 142942447
(5Z,7Z)-9-methylidene-4H-1,3-thiazonine
CID 156341383
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine
CID 167156813

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate?
The IUPAC name of [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate (CID 139443844) is [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate.
What is the SMILES notation for [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate?
The canonical SMILES for [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate is C/C=C\C=C(/C)S/C=N/CC.
What is the InChIKey of [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate?
The InChIKey is OJDLCKHNTXHBCL-DILYWIELSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-6-7-9(3)11-8-10-5-2/h4,6-8H,5H2,1-3H3/b6-4-,9-7+,10-8+.
What are the key properties of [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate?
[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate has a molecular weight of 169.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate is sourced from PubChem (CID 139443844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).