2-(thiophen-3-yl)acetohydrazide

• ChemBase ID: 86525
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: s1cc(CC(=O)NN)cc1
• Canonical SMILES: NNC(=O)Cc1cscc1
• InChI: InChI=1S/C6H8N2OS/c7-8-6(9)3-5-1-2-10-4-5/h1-2,4H,3,7H2,(H,8,9)
• InChIKey: YNMRDHMMFCGQBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-3-yl)acetohydrazide
• IUPAC Traditional name: 2-(thiophen-3-yl)acetohydrazide
• Synonyms: 2-(3-Thienyl)acetic acid hydrazide; Thiophene-3-acetic acid hydrazide; 2-(Thien-3-yl)acetohydrazide; 2-(3-thienyl)ethanohydrazide; 2-(thiophen-3-yl)acetohydrazide; 噻吩-3-乙酸肼

Database IDs

• CAS Number: 175276-94-5
• MDL Number: MFCD00052946
• Beilstein Number: 120473
• PubChem SID: 162073641
• PubChem CID: 468649

CALCULATED PROPERTIES

• Acid pKa: 12.566081
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.28624475
• LogD (pH = 7.4): 0.28799263
• Log P: 0.28801775
• Molar Refractivity: 40.7777 cm^3
• Polarizability: 15.33031 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-86°C; 85-86°C; 86 - 88°C
• Hydrophobicity(logP): -0.21

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%