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

C16H27BrN2S — CID 105238335

IUPAC[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
SMILESCCCCC(CC)CC(CSc1cccc(Br)c1)NN
InChIInChI=1S/C16H27BrN2S/c1-3-5-7-13(4-2)10-15(19-18)12-20-16-9-6-8-14(17)11-16/h6,8-9,11,13,15,19H,3-5,7,10,12,18H2,1-2H3
InChIKeyWWQQMCSUQPUQNT-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.98
Rot. Bonds10

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

[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine (PubChem CID 105238335) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
PubChem CID105238335
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC Name[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
SMILESCCCCC(CC)CC(CSc1cccc(Br)c1)NN
InChIInChI=1S/C16H27BrN2S/c1-3-5-7-13(4-2)10-15(19-18)12-20-16-9-6-8-14(17)11-16/h6,8-9,11,13,15,19H,3-5,7,10,12,18H2,1-2H3
InChIKeyWWQQMCSUQPUQNT-UHFFFAOYSA-N
XLogP4.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
1-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105238354
[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
1-(3-bromophenyl)sulfanylundecan-2-amine
CID 66161373
1-bromo-3-[2-(bromomethyl)butylsulfanyl]benzene
CID 64999963
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
CID 66145054
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105238369
[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105238327

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine (CID 105238335) is [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine is CCCCC(CC)CC(CSc1cccc(Br)c1)NN.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine?
The InChIKey is WWQQMCSUQPUQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-3-5-7-13(4-2)10-15(19-18)12-20-16-9-6-8-14(17)11-16/h6,8-9,11,13,15,19H,3-5,7,10,12,18H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine?
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine has a molecular weight of 359.38 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine is sourced from PubChem (CID 105238335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).