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

C10H15BrN2OS2 — CID 105249744

IUPAC[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)C1CSCCO1
InChIInChI=1S/C10H15BrN2OS2/c11-7-3-8(16-5-7)4-9(13-12)10-6-15-2-1-14-10/h3,5,9-10,13H,1-2,4,6,12H2
InChIKeyZZEMFCYVXXWGON-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.02
Rot. Bonds4

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

[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (PubChem CID 105249744) has the molecular formula C10H15BrN2OS2 and a molecular weight of 323.28 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
PubChem CID105249744
Molecular FormulaC10H15BrN2OS2
Molecular Weight323.28 g/mol
Exact Mass321.98
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)C1CSCCO1
InChIInChI=1S/C10H15BrN2OS2/c11-7-3-8(16-5-7)4-9(13-12)10-6-15-2-1-14-10/h3,5,9-10,13H,1-2,4,6,12H2
InChIKeyZZEMFCYVXXWGON-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-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249733
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229739
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
[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
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
CID 105249480
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781
[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249700

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (CID 105249744) is [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is NNC(Cc1cc(Br)cs1)C1CSCCO1.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The InChIKey is ZZEMFCYVXXWGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS2/c11-7-3-8(16-5-7)4-9(13-12)10-6-15-2-1-14-10/h3,5,9-10,13H,1-2,4,6,12H2.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
[2-(4-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-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).