decylthiourea

• ChemBase ID: 52089
• Molecular Formular: C11H24N2S
• Molecular Mass: 216.38666
• Monoisotopic Mass: 216.16601978
• SMILES: N(C(=S)N)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCNC(=S)N
• InChI: InChI=1S/C11H24N2S/c1-2-3-4-5-6-7-8-9-10-13-11(12)14/h2-10H2,1H3,(H3,12,13,14)
• InChIKey: GSNUNTMZZWSJCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decylthiourea
• IUPAC Traditional name: decylthiourea
• Synonyms: 1-Decyl-2-thiourea

Database IDs

• CAS Number: 24827-74-5
• MDL Number: MFCD00041193
• PubChem SID: 162056852
• PubChem CID: 2758022

CALCULATED PROPERTIES

• Acid pKa: 13.191987
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 3.7410219
• LogD (pH = 7.4): 3.7410212
• Log P: 3.7410228
• Molar Refractivity: 67.5098 cm^3
• Polarizability: 26.732008 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%