2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide

C10H13BrN2O2S — CID 103229934

IUPAC2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccc(Br)cc1)C(=O)NN
InChIInChI=1S/C10H13BrN2O2S/c1-15-6-9(10(14)13-12)16-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyLTBQRVAYAYGLRN-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide

2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide (PubChem CID 103229934) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide
PubChem CID103229934
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccc(Br)cc1)C(=O)NN
InChIInChI=1S/C10H13BrN2O2S/c1-15-6-9(10(14)13-12)16-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyLTBQRVAYAYGLRN-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide (CID 103229934) is 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide is COCC(Sc1ccc(Br)cc1)C(=O)NN.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide?
The InChIKey is LTBQRVAYAYGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-15-6-9(10(14)13-12)16-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide?
2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide has a molecular weight of 305.20 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide is sourced from PubChem (CID 103229934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).