1-Adamantylthiourea

• Catalog Number: ACM25444820
• Product Name: 1-Adamantylthiourea
• CAS: 25444-82-0
• Category: Heterocyclic Organic Compound
• IUPAC Name: 1-adamantylthiourea
• Molecular Weight: 210.34g/mol
• Molecular Formula: C11H18N2S
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)N
• InChI: InChI=1S/C11H18N2S/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
• InChI Key: LRWQENBAFMBIJR-UHFFFAOYSA-N
• Complexity: 233
• Covalently-Bonded Unit Count: 1
• Exact Mass: 210.11907g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 210.11907g/mol
• NSC Number: 184815
• Rotatable Bond Count: 1
• XLogP3: 2.3