2-imino-5-methyl-2,3-dihydro-1,3-thiazol-3-amine

• ChemBase ID: 806569
• Molecular Formular: C4H7N3S
• Molecular Mass: 129.18348
• Monoisotopic Mass: 129.03606824
• SMILES: s1c(=N)n(cc1C)N
• Canonical SMILES: Cc1cn(c(=N)s1)N
• InChI: InChI=1S/C4H7N3S/c1-3-2-7(6)4(5)8-3/h2,5H,6H2,1H3
• InChIKey: LLDCXMSCCWIZQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-imino-5-methyl-2,3-dihydro-1,3-thiazol-3-amine
• IUPAC Traditional name: 2-imino-5-methyl-1,3-thiazol-3-amine
• Synonyms: 2-IMINO-5-METHYLTHIAZOL-3(2H)-AMINE

Database IDs

• CAS Number: 181070-34-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4344734
• LogD (pH = 7.4): 0.058641884
• Log P: 0.3609729
• Molar Refractivity: 47.6133 cm^3
• Polarizability: 13.512728 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%