2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide

C11H15BrN2OS — CID 63581762

IUPAC2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
SMILESCC(C)C(Sc1ccccc1Br)C(=O)NN
InChIInChI=1S/C11H15BrN2OS/c1-7(2)10(11(15)14-13)16-9-6-4-3-5-8(9)12/h3-7,10H,13H2,1-2H3,(H,14,15)
InChIKeyGERSGMLILQMTMF-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide

2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide (PubChem CID 63581762) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
PubChem CID63581762
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
SMILESCC(C)C(Sc1ccccc1Br)C(=O)NN
InChIInChI=1S/C11H15BrN2OS/c1-7(2)10(11(15)14-13)16-9-6-4-3-5-8(9)12/h3-7,10H,13H2,1-2H3,(H,14,15)
InChIKeyGERSGMLILQMTMF-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.56
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'}

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Related Compounds

2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832
2-(2-bromophenyl)sulfanylpentanehydrazide
CID 83047435
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
CID 79527866
2-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanehydrazide
CID 63581693
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
2-[(3-methyl-2-phenylsulfanylbutanoyl)amino]acetic acid
CID 82042816
3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
CID 63590109
3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79404719
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide (CID 63581762) is 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide is CC(C)C(Sc1ccccc1Br)C(=O)NN.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide?
The InChIKey is GERSGMLILQMTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7(2)10(11(15)14-13)16-9-6-4-3-5-8(9)12/h3-7,10H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide?
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide has a molecular weight of 303.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide is sourced from PubChem (CID 63581762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).