(naphthalen-2-yl)thiourea

• ChemBase ID: 124696
• Molecular Formular: C11H10N2S
• Molecular Mass: 202.2755
• Monoisotopic Mass: 202.05646933
• SMILES: C(=S)(Nc1cc2c(cc1)cccc2)N
• Canonical SMILES: NC(=S)Nc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)
• InChIKey: JCGVEGFEGJLZDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-2-yl)thiourea
• IUPAC Traditional name: naphthalen-2-ylthiourea
• Synonyms: 1-(naphthalen-2-yl)thiourea

Database IDs

• PubChem SID: 162219049
• PubChem CID: 2829258

CALCULATED PROPERTIES

• Acid pKa: 9.553277
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 2.7567203
• LogD (pH = 7.4): 2.753868
• Log P: 2.756757
• Molar Refractivity: 64.0388 cm^3
• Polarizability: 25.505749 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true