[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine

C12H19BrN2S — CID 105225748

IUPAC[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1cccc(Br)c1)NN
InChIInChI=1S/C12H19BrN2S/c1-2-6-16-9-12(15-14)8-10-4-3-5-11(13)7-10/h3-5,7,12,15H,2,6,8-9,14H2,1H3
InChIKeyQBCYGMCJKIKAIB-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.97
Rot. Bonds7

About [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine

[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225748) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
PubChem CID105225748
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1cccc(Br)c1)NN
InChIInChI=1S/C12H19BrN2S/c1-2-6-16-9-12(15-14)8-10-4-3-5-11(13)7-10/h3-5,7,12,15H,2,6,8-9,14H2,1H3
InChIKeyQBCYGMCJKIKAIB-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225719
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904
[1-(2,3-dihydro-1H-inden-5-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225635
[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225778
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025177

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine (CID 105225748) is [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine is CCCSCC(Cc1cccc(Br)c1)NN.
What is the InChIKey of [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The InChIKey is QBCYGMCJKIKAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-6-16-9-12(15-14)8-10-4-3-5-11(13)7-10/h3-5,7,12,15H,2,6,8-9,14H2,1H3.
What are the key properties of [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine has a molecular weight of 303.27 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).