1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine

C9H16N2S2 — CID 105259884

IUPAC1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)C1SCCSC1CC
InChIInChI=1S/C9H16N2S2/c1-3-7(11-10)9-8(4-2)12-5-6-13-9/h1,7-9,11H,4-6,10H2,2H3
InChIKeyURWJRWIVQBTXLQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.08
Rot. Bonds3

About 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine

1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine (PubChem CID 105259884) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
PubChem CID105259884
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)C1SCCSC1CC
InChIInChI=1S/C9H16N2S2/c1-3-7(11-10)9-8(4-2)12-5-6-13-9/h1,7-9,11H,4-6,10H2,2H3
InChIKeyURWJRWIVQBTXLQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.08
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)but-3-yn-1-amine
CID 115387674
1-(3-ethyl-1,4-dithian-2-yl)-N-methylbut-3-yn-1-amine
CID 115387903
1-(3-ethyl-1,4-dithian-2-yl)nonylhydrazine
CID 105259853
[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984877
[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105259825
1-(3-ethyl-1,4-dithian-2-yl)pent-3-yn-1-amine
CID 115387463
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387594
[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105260045
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105259904
cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 82931537
[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)-4-phenylbutyl]hydrazine
CID 105259775

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine (CID 105259884) is 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine is C#CC(NN)C1SCCSC1CC.
What is the InChIKey of 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
The InChIKey is URWJRWIVQBTXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-3-7(11-10)9-8(4-2)12-5-6-13-9/h1,7-9,11H,4-6,10H2,2H3.
What are the key properties of 1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine has a molecular weight of 216.37 g/mol, XLogP of 1.08, 3 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)prop-2-ynylhydrazine is sourced from PubChem (CID 105259884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).