4-methyl-2,3-dihydro-1,3-thiazol-2-imine

• ChemBase ID: 106079
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: Cc1csc(=N)[nH]1
• Canonical SMILES: Cc1csc(=N)[nH]1
• InChI: InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
• InChIKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2,3-dihydro-1,3-thiazol-2-imine
• IUPAC Traditional name: 4-methyl-3H-1,3-thiazol-2-imine
• Synonyms: 2-AMINO-4-METHYLTHIAZOLE

Database IDs

• CAS Number: 1603-91-4
• PubChem SID: 162092964
• PubChem CID: 74143

CALCULATED PROPERTIES

• Acid pKa: 11.3464
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6037018
• LogD (pH = 7.4): -0.34265733
• Log P: 0.6918436
• Molar Refractivity: 43.2226 cm^3
• Polarizability: 12.079071 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: >99%

DETAILS

MP Biomedicals - 02198992

Purity: >99%