2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-
TL;DR: 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- (CAS 13787-68-3) is a chemical compound with molecular formula C6H8S6 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane
Also Known As: 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-, 1,3-Dimethyl-2,4,6,8,9,10-hexathiaadamantane, 1,3-dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane, 1,3-Dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.1~3,7~]decane, RefChem:317602
| Molecular Formula | C6H8S6 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.89502 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 13787-68-3 |
|---|---|
| SMILES | CC12SC3SC(S1)SC(S3)(S2)C |
| InChIKey | HQCDAGRCFVLMSB-UHFFFAOYSA-N |
Product Overview
2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- (CAS 13787-68-3), with molecular formula C6H8S6 and molecular weight 271.90 g/mol. IUPAC: 1,3-dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-
Property Insights of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-
The XLogP value of 4.9 indicates that 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-?
The CAS number of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- is 13787-68-3.
What is the molecular formula of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-?
The molecular formula of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- is C6H8S6.
What is the molecular weight of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-?
The molecular weight of 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- is 271.90 g/mol.
Where can I buy 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-?
You can request a quote for 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6,8,9,10-Hexathiaadamantane, 1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.