6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine

• ChemBase ID: 308397
• Molecular Formular: C9H11N3S
• Molecular Mass: 193.26874
• Monoisotopic Mass: 193.06736837
• SMILES: c1(nc2c(s1)cc(N(C)C)cc2)N
• Canonical SMILES: Nc1nc2c(s1)cc(cc2)N(C)C
• InChI: InChI=1S/C9H11N3S/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11)
• InChIKey: DCUFLOLNQPJBDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
• IUPAC Traditional name: 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
• Synonyms: N~6~,N~6~-dimethyl-1,3-benzothiazole-2,6-diamine

Database IDs

• CAS Number: 64334-41-4
• MDL Number: MFCD00616519

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9220581
• LogD (pH = 7.4): 2.0744715
• Log P: 2.0768397
• Molar Refractivity: 55.731 cm^3
• Polarizability: 21.55359 Å^3
• Polar Surface Area: 42.15 Å^2