(2-amino-1,3-thiazol-5-yl)methanol

• ChemBase ID: 88370
• Molecular Formular: C4H6N2OS
• Molecular Mass: 130.16824
• Monoisotopic Mass: 130.02008382
• SMILES: s1c(ncc1CO)N
• Canonical SMILES: Nc1ncc(s1)CO
• InChI: InChI=1S/C4H6N2OS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2,(H2,5,6)
• InChIKey: TZEMBFLDHOUKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-1,3-thiazol-5-yl)methanol
• IUPAC Traditional name: (2-amino-1,3-thiazol-5-yl)methanol
• Synonyms: (2-Amino-1,3-thiazol-5-yl)methanol; 2-Amino-5-(hydroxymethyl)-1,3-thiazole; 2-AMINO-5-THIAZOLEMETHANOL

Database IDs

• CAS Number: 131184-73-1
• PubChem SID: 162075330
• PubChem CID: 11217273

CALCULATED PROPERTIES

• Acid pKa: 14.233319
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.19303331
• LogD (pH = 7.4): -0.14815715
• Log P: -0.1475477
• Molar Refractivity: 32.0401 cm^3
• Polarizability: 11.788809 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 98%