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

C14H23BrN2S — CID 105238478

IUPAC[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
SMILESCCC(CC)CC(CSc1cccc(Br)c1)NN
InChIInChI=1S/C14H23BrN2S/c1-3-11(4-2)8-13(17-16)10-18-14-7-5-6-12(15)9-14/h5-7,9,11,13,17H,3-4,8,10,16H2,1-2H3
InChIKeyNVYXQNYIEMFVJJ-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.20
Rot. Bonds8

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

[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine (PubChem CID 105238478) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
PubChem CID105238478
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
SMILESCCC(CC)CC(CSc1cccc(Br)c1)NN
InChIInChI=1S/C14H23BrN2S/c1-3-11(4-2)8-13(17-16)10-18-14-7-5-6-12(15)9-14/h5-7,9,11,13,17H,3-4,8,10,16H2,1-2H3
InChIKeyNVYXQNYIEMFVJJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.20
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-ethyloctan-2-yl]hydrazine
CID 105238335
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
1-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265
1-bromo-3-[2-(bromomethyl)butylsulfanyl]benzene
CID 64999963
[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238
[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105238369
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105238354
[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105238322
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine (CID 105238478) is [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine is CCC(CC)CC(CSc1cccc(Br)c1)NN.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine?
The InChIKey is NVYXQNYIEMFVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-3-11(4-2)8-13(17-16)10-18-14-7-5-6-12(15)9-14/h5-7,9,11,13,17H,3-4,8,10,16H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine?
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine has a molecular weight of 331.32 g/mol, XLogP of 4.20, 8 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-ethylhexan-2-yl]hydrazine is sourced from PubChem (CID 105238478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).