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

C16H19BrN2S — CID 105238103

IUPAC[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cccc(CC(CSc2ccccc2Br)NN)c1
InChIInChI=1S/C16H19BrN2S/c1-12-5-4-6-13(9-12)10-14(19-18)11-20-16-8-3-2-7-15(16)17/h2-9,14,19H,10-11,18H2,1H3
InChIKeyDXDXLFZLQDNQPN-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.92
Rot. Bonds6

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

[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105238103) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
PubChem CID105238103
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cccc(CC(CSc2ccccc2Br)NN)c1
InChIInChI=1S/C16H19BrN2S/c1-12-5-4-6-13(9-12)10-14(19-18)11-20-16-8-3-2-7-15(16)17/h2-9,14,19H,10-11,18H2,1H3
InChIKeyDXDXLFZLQDNQPN-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.92
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-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105238227
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
[1-(3-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-yl]hydrazine
CID 105238111
[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105238115
[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105377848
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine (CID 105238103) is [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine is Cc1cccc(CC(CSc2ccccc2Br)NN)c1.
What is the InChIKey of [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is DXDXLFZLQDNQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-12-5-4-6-13(9-12)10-14(19-18)11-20-16-8-3-2-7-15(16)17/h2-9,14,19H,10-11,18H2,1H3.
What are the key properties of [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 351.31 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105238103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).