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

C14H15BrN2OS2 — CID 106602208

IUPAC[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
SMILESNNC(Cc1sccc1Br)C1CSc2ccccc2O1
InChIInChI=1S/C14H15BrN2OS2/c15-9-5-6-19-14(9)7-10(17-16)12-8-20-13-4-2-1-3-11(13)18-12/h1-6,10,12,17H,7-8,16H2
InChIKeyFGFLCGNIXHIMPK-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.44
Rot. Bonds4

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

[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine (PubChem CID 106602208) has the molecular formula C14H15BrN2OS2 and a molecular weight of 371.33 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
PubChem CID106602208
Molecular FormulaC14H15BrN2OS2
Molecular Weight371.33 g/mol
Exact Mass369.98
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
SMILESNNC(Cc1sccc1Br)C1CSc2ccccc2O1
InChIInChI=1S/C14H15BrN2OS2/c15-9-5-6-19-14(9)7-10(17-16)12-8-20-13-4-2-1-3-11(13)18-12/h1-6,10,12,17H,7-8,16H2
InChIKeyFGFLCGNIXHIMPK-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.44
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

[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 106602268
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106602195
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249733
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 106602253
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
CID 106602182
[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602256
2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanamine
CID 106601289
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine (CID 106602208) is [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine is NNC(Cc1sccc1Br)C1CSc2ccccc2O1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine?
The InChIKey is FGFLCGNIXHIMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS2/c15-9-5-6-19-14(9)7-10(17-16)12-8-20-13-4-2-1-3-11(13)18-12/h1-6,10,12,17H,7-8,16H2.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine has a molecular weight of 371.33 g/mol, XLogP of 3.44, 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-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine is sourced from PubChem (CID 106602208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).