thiophene-2-carbohydrazide

• ChemBase ID: 89344
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: s1c(ccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccs1
• InChI: InChI=1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
• InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-2-carbohydrazide
• IUPAC Traditional name: thiophene-2-carbohydrazide
• Synonyms: Thiophene-2-carbohydrazide 98%; 2-Thiophenecarboxylic acid hydrazide; Thiophene-2-carboxylic hydrazide; 2-THIOPHENECARBOXYLIC ACID HYDRAZIDE; Thiophene-2-carbohydrazide; 2-噻吩甲酸肼; 噻吩-2-甲酸肼

Database IDs

• CAS Number: 2361-27-5
• EC Number: 219-107-0
• MDL Number: MFCD00005435
• Beilstein Number: 114437
• PubChem SID: 162076224; 24899959
• PubChem CID: 73098

CALCULATED PROPERTIES

• Acid pKa: 13.580775
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.4396839
• LogD (pH = 7.4): 0.44028386
• Log P: 0.4402918
• Molar Refractivity: 36.5104 cm^3
• Polarizability: 13.318792 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-139 °C(lit.); 136-139°C; 137-140°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; 98%; 98+%
• Empirical Formula (Hill Notation): C5H6N2OS

DETAILS

MP Biomedicals - 02156889

Purity: 98%

Sigma Aldrich - T1388

Packaging
1 g in poly bottle
5 g in glass bottle
25 g in poly bottle