[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

C10H15BrN2OS2 — CID 105249733

IUPAC[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1sccc1Br)C1CSCCO1
InChIInChI=1S/C10H15BrN2OS2/c11-7-1-3-16-10(7)5-8(13-12)9-6-15-4-2-14-9/h1,3,8-9,13H,2,4-6,12H2
InChIKeyZUQSPOKMDWSSOQ-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.02
Rot. Bonds4

About [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (PubChem CID 105249733) has the molecular formula C10H15BrN2OS2 and a molecular weight of 323.28 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
PubChem CID105249733
Molecular FormulaC10H15BrN2OS2
Molecular Weight323.28 g/mol
Exact Mass321.98
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1sccc1Br)C1CSCCO1
InChIInChI=1S/C10H15BrN2OS2/c11-7-1-3-16-10(7)5-8(13-12)9-6-15-4-2-14-9/h1,3,8-9,13H,2,4-6,12H2
InChIKeyZUQSPOKMDWSSOQ-UHFFFAOYSA-N
XLogP2.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
CID 106602208
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532
[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105249682
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
[2-(3-bromothiophen-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105299620

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (CID 105249733) is [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is NNC(Cc1sccc1Br)C1CSCCO1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The InChIKey is ZUQSPOKMDWSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS2/c11-7-1-3-16-10(7)5-8(13-12)9-6-15-4-2-14-9/h1,3,8-9,13H,2,4-6,12H2.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine has a molecular weight of 323.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).