8H-indeno[1,2-d][1,3]thiazol-2-amine

• ChemBase ID: 43524
• Molecular Formular: C10H8N2S
• Molecular Mass: 188.24892
• Monoisotopic Mass: 188.04081927
• SMILES: c12c(sc(n1)N)Cc1c2cccc1
• Canonical SMILES: Nc1sc2c(n1)c1c(C2)cccc1
• InChI: InChI=1S/C10H8N2S/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4H,5H2,(H2,11,12)
• InChIKey: XXHWFLFMSNXBLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8H-indeno[1,2-d][1,3]thiazol-2-amine
• IUPAC Traditional name: 8H-indeno[1,2-d][1,3]thiazol-2-amine
• Synonyms: 2-Amino-8H-indeno[1,2-d][1,3]thiazole; 8H-Indeno[1,2-d][1,3]thiazol-2-amine

Database IDs

• CAS Number: 85787-95-7
• MDL Number: MFCD08689683
• PubChem SID: 162048287
• PubChem CID: 13187667

CALCULATED PROPERTIES

• Acid pKa: 9.49675
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.770008
• LogD (pH = 7.4): 2.7679436
• Log P: 2.771426
• Molar Refractivity: 53.8216 cm^3
• Polarizability: 21.217552 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270 °C; 268-270°C
• Partition Coefficient: 2.53
• Hydrophobicity(logP): 2.372

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%