1-Adamantylthiourea

• CAS: 25444-82-0
• Catalog Number: ACM25444820
• Category: Other Products
• Molecular Weight: 210.34g/mol
• Molecular Formula: C11H18N2S
• IUPAC Name: 1-adamantylthiourea
• 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

Synthetic Use

Upstream Synthesis Route 1

• 4240-92-0
• 768-94-5

• 25444-82-0

Reference: [1]Turkevich, N. M.; Agaev, K. A.; Steblyuk, P. N.; Sementsiv, G. N.
[Pharmaceutical Chemistry Journal, 1982, vol. 16, # 9, p. 668 - 670][Khimiko-Farmatsevticheskii Zhurnal, 1982, vol. 16, # 9, p. 1068 - 1069]

Downstream Synthesis Route 1

• 25444-82-0
• 105-39-5

• 70889-41-7

Reference: [1]Tilley,J.W. et al.
[Journal of Medicinal Chemistry, 1979, vol. 22, p. 1009 - 1010]

Downstream Synthesis Route 2

• 25444-82-0
• 79-11-8

• 84298-43-1

Reference: [1]Turkevich, N. M.; Agaev, K. A.; Steblyuk, P. N.; Sementsiv, G. N.
[Pharmaceutical Chemistry Journal, 1982, vol. 16, # 9, p. 668 - 670][Khimiko-Farmatsevticheskii Zhurnal, 1982, vol. 16, # 9, p. 1068 - 1069]

* For details of the synthesis route, please refer to the original source to ensure accuracy.