2-[(2-chlorophenyl)sulfanyl]acetohydrazide hydrochloride

• ChemBase ID: 246079
• Molecular Formular: C8H10Cl2N2OS
• Molecular Mass: 253.1488
• Monoisotopic Mass: 251.98908931
• SMILES: C(=O)(NN)CSc1c(Cl)cccc1.Cl
• Canonical SMILES: NNC(=O)CSc1ccccc1Cl.Cl
• InChI: InChI=1S/C8H9ClN2OS.ClH/c9-6-3-1-2-4-7(6)13-5-8(12)11-10;/h1-4H,5,10H2,(H,11,12);1H
• InChIKey: HESQWSLPODESPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-chlorophenyl)sulfanyl]acetohydrazide hydrochloride
• IUPAC Traditional name: 2-[(2-chlorophenyl)sulfanyl]acetohydrazide hydrochloride
• Synonyms: 2-[(2-chlorophenyl)sulfanyl]acetohydrazide hydrochloride

Database IDs

• MDL Number: MFCD23144218
• PubChem SID: 164301989
• PubChem CID: 71757879

CALCULATED PROPERTIES

• Acid pKa: 11.625724
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2663051
• LogD (pH = 7.4): 1.268684
• Log P: 1.2687387
• Molar Refractivity: 56.1602 cm^3
• Polarizability: 21.592993 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.413

Product Information

• Purity: 95%