1-Adamantanethiol

• CAS: 34301-54-7
• Catalog Number: ACM34301547
• Category: Biomaterials
• Molecular Weight: 168.3
• Molecular Formula: C₁₀H₁₆S
• Synonyms: Tricyclo(3.3.1.13,7)decane-1-thiol;Tricyclo[3.3.1.13,7]decane-1-thiol;CHEMBRDG-BB 4013918;1-MERCAPTOADAMANTANE;1-ADAMANTYL HYDROSULFIDE;1-ADAMANTANETHIOL;AKOS BC-0509;1-Adamantanethiol,1-AD, 1-AdSH, 1-AdmSH
• IUPAC Name: adamantane-1-thiol
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)S
• InChI Key: ADJJLNODXLXTIH-UHFFFAOYSA-N
• Boiling Point: 237.8ºC at 760mmHg
• Melting Point: 99-106ºC
• Flash Point: 94.2ºC
• Density: 1.09g/cm³
• Exact Mass: 168.09700
• Hazard Statements: T: Toxic;N: Dangerous for the environment
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Safety Description: 26-36/37-45-60-61

Custom Q&A

What is the molecular formula of 1-Adamantanethiol?

The molecular formula of 1-Adamantanethiol is C10H16S.

What is the molecular weight of 1-Adamantanethiol?

The molecular weight of 1-Adamantanethiol is 168.30 g/mol.

What is the IUPAC name of 1-Adamantanethiol?

The IUPAC name of 1-Adamantanethiol is adamantane-1-thiol.

What is the InChI key of 1-Adamantanethiol?

The InChI key of 1-Adamantanethiol is ADJJLNODXLXTIH-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Adamantanethiol?

The canonical SMILES of 1-Adamantanethiol is C1C2CC3CC1CC(C2)(C3)S.

What is the CAS number of 1-Adamantanethiol?

The CAS number of 1-Adamantanethiol is 34301-54-7.

What is the UNII number of 1-Adamantanethiol?

The UNII number of 1-Adamantanethiol is L54Q8GF3SI.

What is the Nikkaji number of 1-Adamantanethiol?

The Nikkaji number of 1-Adamantanethiol is J88.933D.

What is the XLogP3 value of 1-Adamantanethiol?

The XLogP3 value of 1-Adamantanethiol is 3.1.

Is 1-Adamantanethiol a canonicalized compound?

Yes, 1-Adamantanethiol is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 1131-48-2
• 34301-54-7

• 76053-45-7

Reference: [1] Journal of Heterocyclic Chemistry, 1991, vol. 28, # 4, p. 1051 - 1060

Downstream Synthesis Route 2

• 1131-48-2
• 34301-54-7

• 76053-45-7

Reference: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1051 - 1060

Downstream Synthesis Route 3

• 1131-61-9
• 34301-54-7

• 136887-29-1
• 136887-30-4

Reference: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1051 - 1060

Downstream Synthesis Route 4

• 1131-61-9
• 34301-54-7
• 108-24-7

• 136887-29-1
• 136887-30-4
• 136887-37-1

Reference: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1051 - 1060

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