2-(3-bromophenyl)sulfanylpropanehydrazide

C9H11BrN2OS — CID 63579968

IUPAC2-(3-bromophenyl)sulfanylpropanehydrazide
SMILESCC(Sc1cccc(Br)c1)C(=O)NN
InChIInChI=1S/C9H11BrN2OS/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyVOXKESMNBVPUTP-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-bromophenyl)sulfanylpropanehydrazide

2-(3-bromophenyl)sulfanylpropanehydrazide (PubChem CID 63579968) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanylpropanehydrazide
PubChem CID63579968
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name2-(3-bromophenyl)sulfanylpropanehydrazide
SMILESCC(Sc1cccc(Br)c1)C(=O)NN
InChIInChI=1S/C9H11BrN2OS/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyVOXKESMNBVPUTP-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)sulfanylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide
CID 63580292
2-(3-bromophenyl)sulfanyl-N-(2-cyanophenyl)propanamide
CID 62803899
2-(3-bromophenyl)propanehydrazide
CID 116843936
2-(3-bromophenyl)sulfanyl-1-(3,4-dimethylphenyl)propan-1-one
CID 63407823
3-(3-bromophenyl)sulfanyl-2-methylbutanoic acid
CID 79391052
(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126124192
2-(3-aminophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)propanamide
CID 18894169
2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 18894186
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid
CID 79357808
2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
CID 64899184

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanylpropanehydrazide?
The IUPAC name of 2-(3-bromophenyl)sulfanylpropanehydrazide (CID 63579968) is 2-(3-bromophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 2-(3-bromophenyl)sulfanylpropanehydrazide?
The canonical SMILES for 2-(3-bromophenyl)sulfanylpropanehydrazide is CC(Sc1cccc(Br)c1)C(=O)NN.
What is the InChIKey of 2-(3-bromophenyl)sulfanylpropanehydrazide?
The InChIKey is VOXKESMNBVPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromophenyl)sulfanylpropanehydrazide?
2-(3-bromophenyl)sulfanylpropanehydrazide has a molecular weight of 275.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 63579968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).