3,4-dihydro-1H-spiro[naphthalene-2,2'-[1,3]thiazolidine] hydrochloride

• ChemBase ID: 51013
• Molecular Formular: C12H16ClNS
• Molecular Mass: 241.78014
• Monoisotopic Mass: 241.0691982
• SMILES: C12(NCCS1)Cc1c(CC2)cccc1.Cl
• Canonical SMILES: C1CSC2(N1)CCc1c(C2)cccc1.Cl
• InChI: InChI=1S/C12H15NS.ClH/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1;/h1-4,13H,5-9H2;1H
• InChIKey: WRWURAKTIMJNPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-1H-spiro[naphthalene-2,2'-[1,3]thiazolidine] hydrochloride
• IUPAC Traditional name: 3,4-dihydro-1H-spiro[naphthalene-2,2'-[1,3]thiazolidine] hydrochloride
• Synonyms: 3,4-Dihydro-1H-spiro[naphthalene-2,2'-[1,3]thiazolidine] hydrochloride

Database IDs

• MDL Number: MFCD14584833
• PubChem SID: 162055776
• PubChem CID: 50853146

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.15119834
• LogD (pH = 7.4): 1.4884644
• Log P: 2.7170055
• Molar Refractivity: 62.3421 cm^3
• Polarizability: 24.385468 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187 °C; 185-187°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%