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

C15H16BrIN2S — CID 105238369

IUPAC[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)Cc1ccc(I)cc1
InChIInChI=1S/C15H16BrIN2S/c16-12-2-1-3-15(9-12)20-10-14(19-18)8-11-4-6-13(17)7-5-11/h1-7,9,14,19H,8,10,18H2
InChIKeyFZFCMIALBWPTSL-UHFFFAOYSA-N
MW463.18 g/mol
LogP4.22
Rot. Bonds6

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

[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine (PubChem CID 105238369) has the molecular formula C15H16BrIN2S and a molecular weight of 463.18 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
PubChem CID105238369
Molecular FormulaC15H16BrIN2S
Molecular Weight463.18 g/mol
Exact Mass461.93
IUPAC Name[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)Cc1ccc(I)cc1
InChIInChI=1S/C15H16BrIN2S/c16-12-2-1-3-15(9-12)20-10-14(19-18)8-11-4-6-13(17)7-5-11/h1-7,9,14,19H,8,10,18H2
InChIKeyFZFCMIALBWPTSL-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.18
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105238322
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
1-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
[1-(3-bromophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)propan-2-yl]hydrazine
CID 105238384
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105238354
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105238327
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
CID 105238335

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine (CID 105238369) is [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine is NNC(CSc1cccc(Br)c1)Cc1ccc(I)cc1.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine?
The InChIKey is FZFCMIALBWPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrIN2S/c16-12-2-1-3-15(9-12)20-10-14(19-18)8-11-4-6-13(17)7-5-11/h1-7,9,14,19H,8,10,18H2.
What are the key properties of [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine?
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine has a molecular weight of 463.18 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105238369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).