2,1-benzothiazol-5-amine

• ChemBase ID: 248476
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c12c(nsc2)ccc(c1)N
• Canonical SMILES: Nc1ccc2c(c1)csn2
• InChI: InChI=1S/C7H6N2S/c8-6-1-2-7-5(3-6)4-10-9-7/h1-4H,8H2
• InChIKey: CFHZGJYPGQCCJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,1-benzothiazol-5-amine
• IUPAC Traditional name: 2,1-benzothiazol-5-amine
• Synonyms: 2,1-benzothiazol-5-amine

Database IDs

• MDL Number: MFCD18811785
• PubChem SID: 164304386
• PubChem CID: 53422691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4870149
• LogD (pH = 7.4): 1.4892321
• Log P: 1.4892604
• Molar Refractivity: 42.7776 cm^3
• Polarizability: 16.769274 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.403

Product Information

• Purity: 95%