N,2-dimethyl-1,3-benzothiazol-6-amine

• ChemBase ID: 235936
• Molecular Formular: C9H10N2S
• Molecular Mass: 178.2541
• Monoisotopic Mass: 178.05646933
• SMILES: n1c(sc2c1ccc(c2)NC)C
• Canonical SMILES: CNc1ccc2c(c1)sc(n2)C
• InChI: InChI=1S/C9H10N2S/c1-6-11-8-4-3-7(10-2)5-9(8)12-6/h3-5,10H,1-2H3
• InChIKey: RJVNRNUPUTWBIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-1,3-benzothiazol-6-amine
• IUPAC Traditional name: N,2-dimethyl-1,3-benzothiazol-6-amine
• Synonyms: N,2-dimethyl-1,3-benzothiazol-6-amine

Database IDs

• MDL Number: MFCD17291787
• PubChem SID: 164291846
• PubChem CID: 23544370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.696659
• LogD (pH = 7.4): 1.7091534
• Log P: 1.7093146
• Molar Refractivity: 51.7632 cm^3
• Polarizability: 20.350973 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.864

Product Information

• Purity: 95%