2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide

C10H14BrN3OS — CID 63589381

IUPAC2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1ccc(Br)cc1N)C(=O)NN
InChIInChI=1S/C10H14BrN3OS/c1-2-8(10(15)14-13)16-9-4-3-6(11)5-7(9)12/h3-5,8H,2,12-13H2,1H3,(H,14,15)
InChIKeyPZDQULFAXSHRAH-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide

2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide (PubChem CID 63589381) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
PubChem CID63589381
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1ccc(Br)cc1N)C(=O)NN
InChIInChI=1S/C10H14BrN3OS/c1-2-8(10(15)14-13)16-9-4-3-6(11)5-7(9)12/h3-5,8H,2,12-13H2,1H3,(H,14,15)
InChIKeyPZDQULFAXSHRAH-UHFFFAOYSA-N
XLogP1.89
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide (CID 63589381) is 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide is CCC(Sc1ccc(Br)cc1N)C(=O)NN.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide?
The InChIKey is PZDQULFAXSHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-2-8(10(15)14-13)16-9-4-3-6(11)5-7(9)12/h3-5,8H,2,12-13H2,1H3,(H,14,15).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide?
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide has a molecular weight of 304.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63589381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).