[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine

C14H23BrN2S — CID 105235987

IUPAC[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
SMILESCC(C)(C)CCC(CSc1ccc(Br)cc1)NN
InChIInChI=1S/C14H23BrN2S/c1-14(2,3)9-8-12(17-16)10-18-13-6-4-11(15)5-7-13/h4-7,12,17H,8-10,16H2,1-3H3
InChIKeyKOVOXFGWSALUFU-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.20
Rot. Bonds6

About [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine

[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine (PubChem CID 105235987) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
PubChem CID105235987
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
SMILESCC(C)(C)CCC(CSc1ccc(Br)cc1)NN
InChIInChI=1S/C14H23BrN2S/c1-14(2,3)9-8-12(17-16)10-18-13-6-4-11(15)5-7-13/h4-7,12,17H,8-10,16H2,1-3H3
InChIKeyKOVOXFGWSALUFU-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
[1-(4-bromophenyl)sulfanyl-5-methoxypentan-2-yl]hydrazine
CID 105236006
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891
[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105236973
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
1-(4-bromophenyl)sulfanyl-3,3-dimethylbutan-2-ol
CID 60728564
[2-(4-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105235850
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105238354
[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 103043942
1-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine (CID 105235987) is [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine is CC(C)(C)CCC(CSc1ccc(Br)cc1)NN.
What is the InChIKey of [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine?
The InChIKey is KOVOXFGWSALUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-14(2,3)9-8-12(17-16)10-18-13-6-4-11(15)5-7-13/h4-7,12,17H,8-10,16H2,1-3H3.
What are the key properties of [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine?
[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine has a molecular weight of 331.32 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine is sourced from PubChem (CID 105235987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).