[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine

C13H19BrN2OS — CID 105238338

IUPAC[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)C1CCOCC1
InChIInChI=1S/C13H19BrN2OS/c14-11-2-1-3-12(8-11)18-9-13(16-15)10-4-6-17-7-5-10/h1-3,8,10,13,16H,4-7,9,15H2
InChIKeyQSJFIXDPCDRRKZ-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.80
Rot. Bonds5

About [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105238338) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
PubChem CID105238338
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)C1CCOCC1
InChIInChI=1S/C13H19BrN2OS/c14-11-2-1-3-12(8-11)18-9-13(16-15)10-4-6-17-7-5-10/h1-3,8,10,13,16H,4-7,9,15H2
InChIKeyQSJFIXDPCDRRKZ-UHFFFAOYSA-N
XLogP2.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.80
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

[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197946
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105236374
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
CID 105238416
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethanone
CID 66142772
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229739

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine (CID 105238338) is [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine is NNC(CSc1cccc(Br)c1)C1CCOCC1.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is QSJFIXDPCDRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c14-11-2-1-3-12(8-11)18-9-13(16-15)10-4-6-17-7-5-10/h1-3,8,10,13,16H,4-7,9,15H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 331.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105238338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).