[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine

C16H26N2S2 — CID 105259775

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine
SMILESCCC1SCCSC1C(CCCc1ccccc1)NN
InChIInChI=1S/C16H26N2S2/c1-2-15-16(20-12-11-19-15)14(18-17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-16,18H,2,6,9-12,17H2,1H3
InChIKeyJGMFXUNZOGLFGL-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.47
Rot. Bonds7

About [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine

[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine (PubChem CID 105259775) has the molecular formula C16H26N2S2 and a molecular weight of 310.53 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine
PubChem CID105259775
Molecular FormulaC16H26N2S2
Molecular Weight310.53 g/mol
Exact Mass310.15
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine
SMILESCCC1SCCSC1C(CCCc1ccccc1)NN
InChIInChI=1S/C16H26N2S2/c1-2-15-16(20-12-11-19-15)14(18-17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-16,18H,2,6,9-12,17H2,1H3
InChIKeyJGMFXUNZOGLFGL-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutan-1-amine
CID 115388037
[1-(4-methylthiomorpholin-3-yl)-4-phenylbutyl]hydrazine
CID 106446486
[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105259943
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
1-(3-ethyl-1,4-dithian-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 115387815
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
(3-ethyl-1,4-dithian-2-yl)-(4-propylphenyl)methanamine
CID 115387540
[1-(4-ethylcyclohexyl)-3-phenylpropyl]hydrazine
CID 105205691
[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105259825
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259953
N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
CID 105139837
1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
CID 104736697

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine (CID 105259775) is [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine is CCC1SCCSC1C(CCCc1ccccc1)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine?
The InChIKey is JGMFXUNZOGLFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S2/c1-2-15-16(20-12-11-19-15)14(18-17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-16,18H,2,6,9-12,17H2,1H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine has a molecular weight of 310.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine is sourced from PubChem (CID 105259775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).