2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol

C7H11NS — CID 89172257

IUPAC2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol
SMILESC/C=C\C=C/N=C/CS
InChIInChI=1S/C7H11NS/c1-2-3-4-5-8-6-7-9/h2-6,9H,7H2,1H3/b3-2-,5-4-,8-6+
InChIKeyJXVABZNWMKWYIO-FKPAUSHJSA-N
MW141.24 g/mol
LogP2.08
Rot. Bonds3

About 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol

2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol (PubChem CID 89172257) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol.

Molecular Properties

Compound Name2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol
PubChem CID89172257
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol
SMILESC/C=C\C=C/N=C/CS
InChIInChI=1S/C7H11NS/c1-2-3-4-5-8-6-7-9/h2-6,9H,7H2,1H3/b3-2-,5-4-,8-6+
InChIKeyJXVABZNWMKWYIO-FKPAUSHJSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-prop-1-enylsulfanylethenyl)ethanimine
CID 123338893
(Z)-3-(ethylideneamino)prop-2-enethial
CID 123395674
(E)-3-(ethylideneamino)but-2-ene-1-thiol
CID 123746264
6-(Ethylideneamino)hexa-3,5-diene-1-thiol
CID 124001752
(E)-1-[(Z)-prop-1-enyl]iminobut-2-ene-2-thiol
CID 126692576
(Z)-4-ethyliminobut-2-ene-1-thiol
CID 141808612
(2E,4Z)-5-(methylideneamino)penta-2,4-diene-2-thiol
CID 142114083
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 142185311
2-[(1Z)-buta-1,3-dienyl]iminopropane-1-thiol
CID 143108403
(1Z,3E)-1-(methylideneamino)penta-1,3-diene-3-thiol
CID 143141260
(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol
CID 143494446
N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 173758120

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol?
The IUPAC name of 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol (CID 89172257) is 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol.
What is the SMILES notation for 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol?
The canonical SMILES for 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol is C/C=C\C=C/N=C/CS.
What is the InChIKey of 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol?
The InChIKey is JXVABZNWMKWYIO-FKPAUSHJSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-3-4-5-8-6-7-9/h2-6,9H,7H2,1H3/b3-2-,5-4-,8-6+.
What are the key properties of 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol?
2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol has a molecular weight of 141.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol is sourced from PubChem (CID 89172257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).