4-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

• ChemBase ID: 312119
• Molecular Formular: C11H9ClN2O2S
• Molecular Mass: 268.71936
• Monoisotopic Mass: 268.00732622
• SMILES: c1(nc(sc1)N)c1c(cc2c(c1)OCCO2)Cl
• Canonical SMILES: Nc1scc(n1)c1cc2OCCOc2cc1Cl
• InChI: InChI=1S/C11H9ClN2O2S/c12-7-4-10-9(15-1-2-16-10)3-6(7)8-5-17-11(13)14-8/h3-5H,1-2H2,(H2,13,14)
• InChIKey: UJRSOTQEMKMWCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
• Synonyms: 4-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

Database IDs

• CAS Number: 915873-63-1
• MDL Number: MFCD07360028

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.624179
• LogD (pH = 7.4): 2.6374435
• Log P: 2.6376154
• Molar Refractivity: 65.9665 cm^3
• Polarizability: 26.400843 Å^3
• Polar Surface Area: 57.37 Å^2